Target Poor or Non Binder(s) Information
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T02728 | Target Info | |||
| Target Name | Neurotensin receptor type 1 (NTSR1) | ||||
| Synonyms |
NTSR1; NTRH; NTR1; NTR subtype 1; NT-R1; NT-R-1; High-affinity levocabastine-insensitive neurotensin receptor
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|
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| Target Type | Clinical trial Target | ||||
| Gene Name | NTSR1 | ||||
| Biochemical Class | GPCR rhodopsin | ||||
| UniProt ID | |||||
| Poor Binders of This Target (in total, 48 binders) | Download | Top | |||
|---|---|---|---|---|---|
| Compound Name |
(2S)-2-[[2-[[3-[[(2S)-1-[(2S)-6-Amino-2-[[(2S)-2,6-diaminohexanoyl]amino]hexanoyl]pyrrolidine-2-carbonyl]amino]-2-(4-bromophenyl)oxolane-3-carbonyl]amino]acetyl]amino]-4-methylpentanoic acid
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3899699; BDBM50206697
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|
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| Activity |
Ki ~ 50000 nM
|
[1] | |||
| Compound Name |
(2S)-2-[[2-(4-Bromophenyl)-3-[[(2S)-1-[(2S)-2-[[(2S)-2,6-diaminohexanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carbonyl]amino]oxolane-3-carbonyl]amino]-4-methylpentanoic acid
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3932989; BDBM50206706
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|
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| Activity |
Ki = 53000 nM
|
[1] | |||
| Compound Name |
(2S)-4-Methyl-2-[[2-[5-(quinoline-4-carbonylamino)indol-1-yl]acetyl]amino]pentanoic acid
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3315201; BDBM50048899
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|
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| Activity |
EC50 = 55070 nM
|
[2] | |||
| Compound Name |
(2S)-2-[[1-(7-Chloroquinolin-4-yl)-2-(2-methoxyphenyl)imidazole-4-carbonyl]amino]-4-methylpentanoic acid
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3099775; BDBM50444958; MLS-0437340.0001
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|
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| Activity |
EC50 = 56000 nM
|
[3] | |||
| Compound Name |
4-[4-(2,6-Dimethylphenyl)piperazin-1-yl]-6-ethoxy-7-methoxy-2-phenylquinazoline
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL2431111; BDBM50440750
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|
||||
| Activity |
EC50 = 61000 nM
|
[4] | |||
| Compound Name |
(2S)-2-{[2-(2,6-Dimethoxyphenyl)-1-(4-pyridyl)imidazol-4-yl]carbonylamino}-4-methylpentanoic acid
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3099780; MLS004254792; BDBM50444953; SMR003080907; MLS-0437333.0001
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|
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| Activity |
EC50 = 66000 nM
|
[3] | |||
| Compound Name |
(2S)-2-[[3-[[(2S)-1-[(2S)-6-Amino-2-[[(2S)-2,6-diaminohexanoyl]amino]hexanoyl]pyrrolidine-2-carbonyl]amino]-2-(4-bromophenyl)oxolane-3-carbonyl]amino]-4-methylpentanoic acid
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3890335; BDBM50206709
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|
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| Activity |
Ki = 67000 nM
|
[1] | |||
| Compound Name |
[4-(2-Cyclopropyl-6,7-dimethoxyquinazolin-4-yl)piperazin-1-yl]-(2-methoxyphenyl)methanone
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL2431109; SCHEMBL15818659; BDBM50440749; MLS-0469657.0001
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|
||||
| Activity |
EC50 = 68000 nM
|
[4] | |||
| Compound Name |
(2S)-2-[[3-[[(2S)-1-[(2S)-6-Amino-2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]hexanoyl]pyrrolidine-2-carbonyl]amino]-2-(4-bromophenyl)oxolane-3-carbonyl]amino]-4-methylpentanoic acid
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3941970; BDBM50206705
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|
||||
| Activity |
Ki = 70500 nM
|
[1] | |||
| Compound Name |
(2S)-2-[[1-(7-Chloroquinolin-4-yl)-2-phenylimidazole-4-carbonyl]amino]-4-methylpentanoic acid
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3099776; BDBM50444957; MLS-0437329.0001
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|
||||
| Activity |
EC50 = 72000 nM
|
[3] | |||
| Compound Name |
(2S)-2-[[3-[[(2S)-1-[(2S)-2-[[(2S)-2-Amino-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carbonyl]amino]-2-(4-bromophenyl)oxolane-3-carbonyl]amino]-4-methylpentanoic acid
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3954824; BDBM50206699
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|
||||
| Activity |
Ki = 72500 nM
|
[1] | |||
| Compound Name |
6-Ethoxy-7-methoxy-4-[4-(2-nitrophenyl)piperazin-1-yl]-2-phenylquinazoline
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL2431235; BDBM50440748
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|
||||
| Activity |
EC50 = 75000 nM
|
[4] | |||
| Compound Name |
(2S)-2-[[2-(2,6-Dimethoxyphenyl)-1-(4-methylphenyl)imidazole-4-carbonyl]amino]-4-methylpentanoic acid
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3099770; BDBM50444946; MLS-0437339.0001
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|
||||
| Activity |
EC50 ~ 80000 nM
|
[3] | |||
| Compound Name |
4-[4-(2-Fluorophenyl)piperazin-1-yl]-6,7-dimethoxy-2-phenylquinazoline
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL2431135; SCHEMBL15819199; ZINC2300876; BDBM50440746; STL334993; AKOS022115924; MCULE-1408919683; MLS-0454783.0001
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|
||||
| Activity |
EC50 ~ 80000 nM
|
[4] | |||
| Compound Name |
2-Cyclopropyl-6,7-dimethoxy-4-piperazin-1-ylquinazoline
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL2431110; SCHEMBL19773006; BDBM50440739; MLS-0471510.0001
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|
||||
| Activity |
EC50 ~ 80000 nM
|
[4] | |||
| Compound Name |
6,7-Dimethoxy-2-phenyl-4-(4-phenylpiperazin-1-yl)quinazoline
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL2431134; SCHEMBL15819480; ZINC2338076; BDBM50440747; STL333910; AKOS022115923; MCULE-5431182931; MLS-0454790.0001
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|
||||
| Activity |
EC50 ~ 80000 nM
|
[4] | |||
| Compound Name |
4-[4-(4-Fluorophenyl)piperazin-1-yl]-6,7-dimethoxy-2-phenylquinazoline
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL2431136; SCHEMBL15821039; ZINC2326665; BDBM50440745; STK606031; AKOS005542119; MCULE-2879453052; MLS-0454796.0001
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|
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| Activity |
EC50 ~ 80000 nM
|
[4] | |||
| Compound Name |
1-(2-Cyclopropyl-6,7-dimethoxyquinazolin-4-yl)-4-(phenylsulfonyl)piperazine
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL2431132; MLS004254801; SCHEMBL15818954; BDBM50440740; SMR003080914; MLS-0469656.0001; 4-[4-(benzenesulfonyl)piperazin-1-yl]-2-cyclopropyl-6,7-dimethoxyquinazoline
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|
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| Activity |
EC50 ~ 80000 nM
|
[4] | |||
| Compound Name |
2-Cyclopropyl-6,7-dimethoxy-4-(4-(2-methoxyphenyl)piperazin-1-yl)quinazoline
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|
Investigative | Compound Info | ||
| Synonyms |
ML314; ML-314; CHEMBL2431120; 2-cyclopropyl-6,7-dimethoxy-4-[4-(2-methoxyphenyl)piperazin-1-yl]quinazoline; MLS004254796; SCHEMBL15819587; AOB4170; BCP09261; BDBM50440737; ML 314; ZINC96284476; AKOS030526548; ML 314;ML-314; NCGC00378708-04; AS-16787; HY-16639; SMR003080910; A13570; MLS-0463110.0001; MLS-0463110.0002; 1-[4-(2-cyclopropyl-6,7-dimethoxyquinazolin-4-yl)piperazinyl]-2-methoxybenzene
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|
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| Activity |
EC50 ~ 80000 nM
|
[4] | |||
| Compound Name |
(2S)-4-Methyl-2-[(2-phenyl-1-quinolin-4-ylimidazole-4-carbonyl)amino]pentanoic acid
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3099779; BDBM50444954; MLS-0437327.0001
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|
||||
| Activity |
EC50 ~ 80000 nM
|
[3] | |||
| Compound Name |
6,7-Dimethoxy-4-[4-(2-methoxyphenyl)piperazin-1-yl]quinazoline
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL2431112; BDBM50440780; STK940146; ZINC32544286; AKOS002365198; MCULE-6262182369; MLS-0454797.0001
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|
||||
| Activity |
EC50 ~ 80000 nM
|
[4] | |||
| Compound Name |
(2S)-2-[[2-(2-Methoxyphenyl)-1-pyridin-4-ylimidazole-4-carbonyl]amino]-4-methylpentanoic acid
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3099781; BDBM50444952; MLS-0437328.0001
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|
||||
| Activity |
EC50 ~ 80000 nM
|
[3] | |||
| Compound Name |
(2S)-2-[[2-(2-Methoxyphenyl)-1-quinolin-4-ylimidazole-4-carbonyl]amino]-4-methylpentanoic acid
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3099778; BDBM50444955; MLS-0437405.0001
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|
||||
| Activity |
EC50 ~ 80000 nM
|
[3] | |||
| Compound Name |
6-Ethoxy-7-methoxy-4-[4-(2-methoxyphenyl)piperazin-1-yl]-2-phenylquinazoline
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL2431138; SCHEMBL15818605; BDBM50440743
Click to Show/Hide
|
||||
| Activity |
EC50 ~ 80000 nM
|
[4] | |||
| Compound Name |
4-[4-(2-Chlorophenyl)piperazin-1-yl]-6,7-dimethoxy-2-phenylquinazoline
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL2431137; SCHEMBL15819570; BDBM50440744
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|
||||
| Activity |
EC50 ~ 80000 nM
|
[4] | |||
| Compound Name |
2-[6,7-Dimethoxy-4-[4-(2-methoxyphenyl)piperazin-1-yl]quinazolin-2-yl]-N,N-dimethylethanamine
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL2431123; SCHEMBL15819631; BDBM50440781; MLS-0471472.0001
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|
||||
| Activity |
EC50 ~ 80000 nM
|
[4] | |||
| Compound Name |
6,7-Dimethoxy-4-[4-(2-methoxyphenyl)piperazin-1-yl]-2-methylquinazoline
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL2431113; SCHEMBL15818823; BDBM50440779; MLS-0463029.0001
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|
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| Activity |
EC50 ~ 80000 nM
|
[4] | |||
| Compound Name |
(2S)-2-[[(2S,3S)-2-[[2-[[(2S)-1-[(2S)-6-Amino-2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]hexanoyl]pyrrolidine-2-carbonyl]-[2-(4-hydroxyphenyl)ethyl]amino]acetyl]amino]-3-methylpentanoyl]amino]-4-methylpentanoic acid
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL1766944; BDBM50342248
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|
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| Activity |
Ki = 80000 nM
|
[5] | |||
| Compound Name |
6-Ethoxy-7-methoxy-2-phenyl-4-(4-phenylpiperazin-1-yl)quinazoline
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL2431139; SCHEMBL15819912; BDBM50440742
Click to Show/Hide
|
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| Activity |
EC50 ~ 80000 nM
|
[4] | |||
| Compound Name |
6-Ethoxy-4-[4-(2-fluorophenyl)piperazin-1-yl]-7-methoxy-2-phenylquinazoline
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL2431140; SCHEMBL15821238; BDBM50440741
Click to Show/Hide
|
||||
| Activity |
EC50 ~ 80000 nM
|
[4] | |||
| Compound Name |
(2S)-4-Methyl-2-[(2-phenyl-1-(4-pyridyl)imidazol-4-yl)carbonylamino]pentanoic acid
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3099782; MLS004254793; BDBM50444951; SMR003080908; MLS-0437324.0001
Click to Show/Hide
|
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| Activity |
EC50 ~ 80000 nM
|
[3] | |||
| Compound Name |
(2S)-2-[[1-(7-Chloroquinolin-4-yl)-2-(2,4-dimethoxyphenyl)imidazole-4-carbonyl]amino]-4-methylpentanoic acid
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3099783; BDBM50444950; MLS-0446078.0001
Click to Show/Hide
|
||||
| Activity |
EC50 ~ 80000 nM
|
[3] | |||
| Compound Name |
(2R)-4-Methyl-2-[[2-(5-naphthalen-1-ylindol-1-yl)acetyl]amino]pentanoic acid
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3315219; BDBM50049004
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|
||||
| Activity |
EC50 ~ 100000 nM
|
[2] | |||
| Compound Name |
N-[(2S)-1-Hydroxy-4-methylpentan-2-yl]-2-(5-quinolin-3-ylindol-1-yl)acetamide
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3315208; BDBM50048906
Click to Show/Hide
|
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| Activity |
EC50 ~ 100000 nM
|
[2] | |||
| Compound Name |
(2R)-4-Methyl-2-[[2-(5-quinolin-3-ylindol-1-yl)acetyl]amino]pentanoic acid
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3315214; BDBM50048916
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|
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| Activity |
EC50 ~ 100000 nM
|
[2] | |||
| Compound Name |
Methyl (2S)-4-methyl-2-[[2-(5-quinolin-3-ylindol-1-yl)acetyl]amino]pentanoate
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3315207; BDBM50048905
Click to Show/Hide
|
||||
| Activity |
EC50 ~ 100000 nM
|
[2] | |||
| Compound Name |
Methyl (2R)-4-methyl-2-[[2-(5-naphthalen-1-ylindol-1-yl)acetyl]amino]pentanoate
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3315220; BDBM50049009
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|
||||
| Activity |
EC50 ~ 100000 nM
|
[2] | |||
| Compound Name |
2-[[2-(5-Quinolin-3-ylindol-1-yl)acetyl]amino]acetic acid
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3315210; BDBM50048912
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|
||||
| Activity |
EC50 ~ 100000 nM
|
[2] | |||
| Compound Name |
Methyl (2R)-4-methyl-2-[[2-(5-quinolin-3-ylindol-1-yl)acetyl]amino]pentanoate
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3315215; BDBM50048917
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|
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| Activity |
EC50 ~ 100000 nM
|
[2] | |||
| Compound Name |
Chembl4292651
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|
Investigative | Compound Info | ||
| Synonyms |
BDBM50465154
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|
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| Activity |
IC50 ~ 100000 nM
|
[6] | |||
| Compound Name |
(2S)-3-Methyl-2-[[2-(5-quinolin-3-ylindol-1-yl)acetyl]amino]butanoic acid
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3315212; BDBM50048914
Click to Show/Hide
|
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| Activity |
EC50 ~ 100000 nM
|
[2] | |||
| Compound Name |
Chembl4294560
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|
Investigative | Compound Info | ||
| Synonyms |
BDBM50465152
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|
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| Activity |
IC50 ~ 100000 nM
|
[6] | |||
| Compound Name |
(2S)-2-[[2-(5-Quinolin-3-ylindol-1-yl)acetyl]amino]propanoic acid
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3315211; BDBM50048913
Click to Show/Hide
|
||||
| Activity |
EC50 ~ 100000 nM
|
[2] | |||
| Compound Name |
(2S)-3-Methyl-2-[[2-(5-naphthalen-1-ylindol-1-yl)acetyl]amino]butanoic acid
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3315218; BDBM50048987
Click to Show/Hide
|
||||
| Activity |
EC50 ~ 100000 nM
|
[2] | |||
| Compound Name |
Methyl (2S)-4-methyl-2-[[2-(5-naphthalen-1-ylindol-1-yl)acetyl]amino]pentanoate
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3315216; BDBM50048918
Click to Show/Hide
|
||||
| Activity |
EC50 ~ 100000 nM
|
[2] | |||
| Compound Name |
2-[[2-(5-Naphthalen-1-ylindol-1-yl)acetyl]amino]acetic acid
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3315217; BDBM50048919
Click to Show/Hide
|
||||
| Activity |
EC50 ~ 100000 nM
|
[2] | |||
| Compound Name |
(2S)-2-[[(2S,3S)-2-[[2-[(5R)-1-[(2S)-2-[[(2S)-2-Amino-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]-6-oxo-1,7-diazaspiro[4.4]nonan-7-yl]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylpentanoyl]amino]-4-methylpentanoic acid
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL186637; BDBM50154966
Click to Show/Hide
|
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| Activity |
Ki ~ 100000 nM
|
[7] | |||
| Compound Name |
(R)-4-Methyl-2-(2-(5-(quinoline-8-sulfonamido)-1H-indol-1-yl)acetamido)pentanoic acid
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL496585; BDBM50293183
Click to Show/Hide
|
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| Activity |
EC50 = 178000 nM
|
[2] | |||
| Click to Show/Hide the Information of All Poor Binders | |||||
| Non Binders of This Target (in total, 2 non binders) | Download | Top | |||
|---|---|---|---|---|---|
| Compound Name |
NPC-15199
Click to Show/Hide
|
Phase 2 | Compound Info | ||
| Synonyms |
2-(9H-Fluoren-9-ylmethoxycarbonylamino)-4-methylpentanoic acid; F-L-Leu; CHEMBL294989; PPARgamma Activator, Fmoc-Leu; 2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-methylpentanoic acid; Fmoc-DL-leucine; N-alpha-Fmoc-L-leucine; NSC334290; ACMC-209iik; AC1L1HVH; n-[(9h-fluoren-9-ylmethoxy)carbonyl]leucin; ACMC-2099ky; AC1Q5SK7; 126727-03-5; 2-(9H-Fluoren-9-ylmethoxycarbonylamino)-4-methyl-pentanoic acid; (2S)-2-[(fluoren-9-ylmethoxy)carbonylamino]-4-methylpentanoic acid; GTPL2705; SCHEMBL1002861; CHEBI:91726; CTK8G6077; MolPort-003-700-319; HMS3266H19; SBB056939; IN1334; BDBM50034787; AKOS017268980
Click to Show/Hide
|
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| Activity |
EC50 = 215500 nM
|
[8] | |||
| Compound Name |
Polyamine-NT
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL450740; BDBM50276349
Click to Show/Hide
|
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| Activity |
Ki = 250000 nM
|
[9] | |||
| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | NTS2-selective neurotensin mimetics with tetrahydrofuran amino acids. Bioorg Med Chem. 2017 Jan 1;25(1):350-359. | ||||
| REF 2 | The discovery of indole full agonists of the neurotensin receptor 1 (NTSR1). Bioorg Med Chem Lett. 2014 Aug 15;24(16):3974-8. | ||||
| REF 3 | Imidazole-derived agonists for the neurotensin 1 receptor. Bioorg Med Chem Lett. 2014 Jan 1;24(1):262-7. | ||||
| REF 4 | Discovery of ML314, a Brain Penetrant Non-Peptidic -Arrestin Biased Agonist of the Neurotensin NTR1 Receptor. ACS Med Chem Lett. 2013 Jul 20;4(9):846-851. | ||||
| REF 5 | Discovery of highly potent and neurotensin receptor 2 selective neurotensin mimetics. J Med Chem. 2011 Apr 28;54(8):2915-23. | ||||
| REF 6 | In Search of the Optimal Macrocyclization Site for Neurotensin. ACS Med Chem Lett. 2018 Jan 29;9(3):227-232. | ||||
| REF 7 | Evaluation of lactam-bridged neurotensin analogues adjusting psi(Pro10) close to the experimentally derived bioactive conformation of NT(8-13). J Med Chem. 2004 Oct 21;47(22):5587-90. | ||||
| REF 8 | The identification of neurotensin NTS1 receptor partial agonists through a ligand-based virtual screening approach. Bioorg Med Chem Lett. 2008 Nov 1;18(21):5789-91. | ||||
| REF 9 | Synthesis and applications of polyamine amino acid residues: improving the bioactivity of an analgesic neuropeptide, neurotensin. J Med Chem. 2009 Mar 26;52(6):1514-7. | ||||
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