Target Poor or Non Binder(s) Information
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T86014 | Target Info | |||
| Target Name | Sphingosine kinase 1 (SPHK1) | ||||
| Synonyms |
SPK 1; SPK; SPHK1; SK 1; Acetyltransferase SPHK1
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|
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| Target Type | Clinical trial Target | ||||
| Gene Name | SPHK1 | ||||
| Biochemical Class | Kinase | ||||
| UniProt ID | |||||
| Poor Binders of This Target (in total, 44 binders) | Download | Top | |||
|---|---|---|---|---|---|
| Compound Name |
ABC294640
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|
Phase 2 | Compound Info | ||
| Synonyms |
ABC294640; 915385-81-8; Opaganib; ABC-294640; CHEMBL2158685; ABC 294640; UNII-DRG21OQ517; DRG21OQ517; Yeliva; SCHEMBL1548333; GTPL6624; CHEBI:124965; MolPort-044-560-286; HMS3402P05; BCP08959; EX-A1962; BDBM50393642; 3-(4-chlorophenyl)-N-(pyridin-4-ylmethyl)adamantane-1-carboxamide; AKOS027327311; CS-0877; SB17167; DB12764; API0017247; HY-16015; S7174; BRD-A70814879-003-01-8; ABC294640; 915385-81-8; ABC-294640
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| Activity |
IC50 ~ 100000 nM
|
[1] | |||
| Compound Name |
ROMe
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Investigative | Compound Info | ||
| Synonyms |
(R)-FTY720-OMe
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| Activity |
IC50 ~ 50000 nM
|
[1] | |||
| Compound Name |
DIMETHYLSPINGOSINE
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Investigative | Compound Info | ||
| Synonyms |
N,N-Dimethylsphing-4-enine; D-erythro-N,N-dimethylsphingosine; N,N-Dimethylspingosine; CHEMBL322333; CHEBI:78759; D-erythro-Sphingosine, N,N-Dimethyl-; N,N-Dimethylsphingenine; N,N-dimethyl-erythro-sphingosine; N,N-Dimethyl-D-erythrosphingenine; N-dimethylsphingosine; AC1NQZUP; C13914; N,N-Dimethyl-4-sphingenine; BSPBio_001420; N,N-Dimethylsphingosine, oil; SCHEMBL121927; SCHEMBL5493697; BML3-C12; Dimethyl Sphingosine (d18:1)
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| Activity |
IC50 = 50560 nM
|
[2] | |||
| Compound Name |
3,4,5-Trihydroxy-N-[(E)-[3-[(3-methylphenyl)methoxy]phenyl]methylideneamino]benzamide
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3814845; BDBM50178365
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|
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| Activity |
IC50 = 52100 nM
|
[2] | |||
| Compound Name |
3,4,5-Trihydroxy-N-[(E)-[4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]methylideneamino]benzamide
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3813988; BDBM50178444
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| Activity |
IC50 = 54720 nM
|
[2] | |||
| Compound Name |
Chembl4162455
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Investigative | Compound Info | ||
| Synonyms |
BDBM50277231
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| Activity |
IC50 = 55000 nM
|
[3] | |||
| Compound Name |
US9421177, Vpc171147
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3937484; SCHEMBL11995985; BDBM241910
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| Activity |
Ki = 60000 nM
|
[4] | |||
| Compound Name |
Trimethyl-[4-(4-octylphenyl)cyclohexyl]azanium;iodide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL1927588; CHEMBL1927587
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| Activity |
Ki = 60000 nM
|
[5] | |||
| Compound Name |
Chembl4173139
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Investigative | Compound Info | ||
| Synonyms |
BDBM50277230
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| Activity |
IC50 = 60000 nM
|
[3] | |||
| Compound Name |
3-{[4-(2-Hydroxyethyl)phenyl]amino}-1-(4-propoxyphenyl)pyrrolidine-2,5-dione
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|
Investigative | Compound Info | ||
| Synonyms |
Oprea1_141335; CHEMBL3736205; STK047106; AKOS000589834; AKOS022081073; MCULE-4606669724; ST50283217; J3.514.751I; AG-205/14552015; SR-01000530252; SR-01000530252-1; 1-(p-Propoxyphenyl)-3-(p-(2-hydroxyethyl)anilino)pyrrolidine-2,5-dione; 3-[4-(2-hydroxyethyl)anilino]-1-(4-propoxyphenyl)-2,5-pyrrolidinedione; 3-{[4-(2-hydroxyethyl)phenyl]amino}-1-(4-propoxyphenyl)azolidine-2,5-dione
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|
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| Activity |
IC50 = 61600 nM
|
[6] | |||
| Compound Name |
3,4,5-Trihydroxy-N-[(E)-[3-[(2-methylphenyl)methoxy]phenyl]methylideneamino]benzamide
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3814691; BDBM50178364
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|
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| Activity |
IC50 = 63240 nM
|
[2] | |||
| Compound Name |
1-[(2S,3R)-1,3-Dihydroxyoctadecan-2-yl]-3-[3-(trifluoromethyl)phenyl]thiourea
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3134155; BDBM50496602
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| Activity |
IC50 = 69000 nM
|
[7] | |||
| Compound Name |
N-[(E)-[3-[(4-Cyanophenyl)methoxy]phenyl]methylideneamino]-3,4,5-trihydroxybenzamide
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3814810; BDBM50178437
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|
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| Activity |
IC50 = 69440 nM
|
[2] | |||
| Compound Name |
2-Hydroxyethyl-dimethyl-[4-(4-octylphenyl)cyclohexyl]azanium;iodide
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL1927596; CHEMBL1927595
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|
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| Activity |
Ki = 70000 nM
|
[5] | |||
| Compound Name |
N-[(E)-[3-[(3-Cyanophenyl)methoxy]phenyl]methylideneamino]-3,4,5-trihydroxybenzamide
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3815047; BDBM50178436
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|
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| Activity |
IC50 = 85260 nM
|
[2] | |||
| Compound Name |
3-Hydroxy-N-[(E)-[3-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]methylideneamino]benzamide
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3814603; BDBM50178357
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|
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| Activity |
IC50 ~ 100000 nM
|
[2] | |||
| Compound Name |
[(2S)-1-[[4-[2-Methyl-3-[[(2R)-oxolan-2-yl]methyl]benzimidazol-5-yl]phenyl]methyl]pyrrolidin-2-yl]methanol
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL4088607; BDBM50237414
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|
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| Activity |
IC50 ~ 100000 nM
|
[8] | |||
| Compound Name |
3-Hydroxy-N-[(E)-[3-[(3-methoxyphenyl)methoxy]phenyl]methylideneamino]benzamide
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3813800; BDBM50178548
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|
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| Activity |
IC50 ~ 100000 nM
|
[2] | |||
| Compound Name |
N-[(E)-[4-[(2-Cyanophenyl)methoxy]phenyl]methylideneamino]-3,4,5-trihydroxybenzamide
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3814779; BDBM50178446
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|
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| Activity |
IC50 ~ 100000 nM
|
[2] | |||
| Compound Name |
3-Hydroxy-N-[(E)-[4-[(3-methoxyphenyl)methoxy]phenyl]methylideneamino]benzamide
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3813749; BDBM50178353
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|
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| Activity |
IC50 ~ 100000 nM
|
[2] | |||
| Compound Name |
N-[(E)-[3-[(2-Fluorophenyl)methoxy]phenyl]methylideneamino]-3,4,5-trihydroxybenzamide
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3814912; BDBM50178409
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|
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| Activity |
IC50 ~ 100000 nM
|
[2] | |||
| Compound Name |
N-[(E)-[3-[(4-Chlorophenyl)methoxy]phenyl]methylideneamino]-3,4,5-trihydroxybenzamide
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3814091; BDBM50178433
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|
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| Activity |
IC50 ~ 100000 nM
|
[2] | |||
| Compound Name |
[(2S)-1-[[4-[2-Methyl-3-[[(2S)-oxolan-2-yl]methyl]benzimidazol-5-yl]phenyl]methyl]pyrrolidin-2-yl]methanol
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL4064624; BDBM50237415
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|
||||
| Activity |
IC50 ~ 100000 nM
|
[8] | |||
| Compound Name |
3,5-Dihydroxy-N-[(E)-[4-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]methylideneamino]benzamide
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3814087; BDBM50178359
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|
||||
| Activity |
IC50 ~ 100000 nM
|
[2] | |||
| Compound Name |
3,5-Dihydroxy-N-[(E)-[3-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]methylideneamino]benzamide
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3814450; BDBM50178355
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|
||||
| Activity |
IC50 ~ 100000 nM
|
[2] | |||
| Compound Name |
US9421177, Vpc171117
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3913574; SCHEMBL11995983; BDBM241909
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|
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| Activity |
Ki ~ 100000 nM
|
[4] | |||
| Compound Name |
3,4,5-Trihydroxy-N-[(E)-[4-[(4-methoxyphenyl)methoxy]phenyl]methylideneamino]benzamide
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3814524; BDBM50178503
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|
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| Activity |
IC50 ~ 100000 nM
|
[2] | |||
| Compound Name |
2-Methyl-1-[[(2R)-oxolan-2-yl]methyl]-6-[4-(pyrrolidin-1-ylmethyl)phenyl]benzimidazole
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL4101485; BDBM50237430
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|
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| Activity |
IC50 ~ 100000 nM
|
[8] | |||
| Compound Name |
4-Hydroxy-N-[(E)-[3-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]methylideneamino]benzamide
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3813816; BDBM50178358
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|
||||
| Activity |
IC50 ~ 100000 nM
|
[2] | |||
| Compound Name |
3,4,5-Trihydroxy-N-[(E)-[3-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]methylideneamino]benzamide
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3813857; BDBM50178407
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|
||||
| Activity |
IC50 ~ 100000 nM
|
[2] | |||
| Compound Name |
N-[(E)-[3-[(3-Fluorophenyl)methoxy]phenyl]methylideneamino]-3,4,5-trihydroxybenzamide
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3813986; BDBM50178410
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|
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| Activity |
IC50 ~ 100000 nM
|
[2] | |||
| Compound Name |
US9421177, Vpc95127
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3969659; SCHEMBL11996033; BDBM241934
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|
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| Activity |
Ki ~ 100000 nM
|
[4] | |||
| Compound Name |
4-Hydroxy-N-[(E)-[4-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]methylideneamino]benzamide
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3815019; BDBM50178362
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|
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| Activity |
IC50 ~ 100000 nM
|
[2] | |||
| Compound Name |
3,5-Dihydroxy-N-[(E)-[3-[(3-methoxyphenyl)methoxy]phenyl]methylideneamino]benzamide
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3813737; BDBM50178505
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|
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| Activity |
IC50 ~ 100000 nM
|
[2] | |||
| Compound Name |
3-Hydroxy-N-[(E)-[4-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]methylideneamino]benzamide
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3814697; BDBM50178361
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|
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| Activity |
IC50 ~ 100000 nM
|
[2] | |||
| Compound Name |
3,4,5-Trihydroxy-N-[(E)-[3-[(4-methoxyphenyl)methoxy]phenyl]methylideneamino]benzamide
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3814312; BDBM50178441
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|
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| Activity |
IC50 ~ 100000 nM
|
[2] | |||
| Compound Name |
N-[(E)-[3-[(4-Fluorophenyl)methoxy]phenyl]methylideneamino]-3,4,5-trihydroxybenzamide
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3814271; BDBM50178411
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|
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| Activity |
IC50 ~ 100000 nM
|
[2] | |||
| Compound Name |
Dimethyl-[4-(4-octylphenyl)cyclohexyl]-propan-2-ylazanium;iodide
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL1927592; CHEMBL1927591
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|
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| Activity |
Ki ~ 100000 nM
|
[5] | |||
| Compound Name |
3,5-Dihydroxy-N-[(E)-[4-[(3-methoxyphenyl)methoxy]phenyl]methylideneamino]benzamide
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3814178; BDBM50178610
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|
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| Activity |
IC50 ~ 100000 nM
|
[2] | |||
| Compound Name |
4-Hydroxy-N-[(E)-[4-[(3-methoxyphenyl)methoxy]phenyl]methylideneamino]benzamide
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3814396; BDBM50178354
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|
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| Activity |
IC50 ~ 100000 nM
|
[2] | |||
| Compound Name |
N'-{(E)-[3-(Benzyloxy)phenyl]methylidene}-1H-benzimidazole-6-carbohydrazide
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3814344; BDBM50178504; STL333307; AKOS002270303; ST50177468; N-{(1E)-2-[3-(phenylmethoxy)phenyl]-1-azavinyl}benzimidazol-6-ylcarboxamide
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|
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| Activity |
IC50 ~ 100000 nM
|
[2] | |||
| Compound Name |
N-Methyl-4-(4-octylphenyl)cyclohexan-1-amine
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL1927562; CHEMBL1927563; BDBM50359972
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|
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| Activity |
Ki ~ 100000 nM
|
[5] | |||
| Compound Name |
4-Hydroxy-N-[(E)-[3-[(3-methoxyphenyl)methoxy]phenyl]methylideneamino]benzamide
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3814952; BDBM50178609
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|
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| Activity |
IC50 ~ 100000 nM
|
[2] | |||
| Compound Name |
N-[(E)-[3-[(3-Chlorophenyl)methoxy]phenyl]methylideneamino]-3,4,5-trihydroxybenzamide
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3814059; BDBM50178413
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|
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| Activity |
IC50 ~ 100000 nM
|
[2] | |||
| Click to Show/Hide the Information of All Poor Binders | |||||
| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Identification of selective inhibitors of sphingosine kinases 1 and 2 through a structure-activity relationship study of 4-epi-jaspine B. Bioorg Med Chem. 2017 Jun 15;25(12):3046-3052. | ||||
| REF 2 | Development of hydroxy-based sphingosine kinase inhibitors and anti-inflammation in dextran sodium sulfate induced colitis in mice. Bioorg Med Chem. 2016 Jul 15;24(14):3218-30. | ||||
| REF 3 | An integrative study to identify novel scaffolds for sphingosine kinase 1 inhibitors. Eur J Med Chem. 2017 Oct 20;139:461-481. | ||||
| REF 4 | US patent application no. 9421177B2, Imidamide sphingosine kinase inhibitors | ||||
| REF 5 | Design, synthesis and biological activity of sphingosine kinase 2 selective inhibitors. Bioorg Med Chem. 2012 Jan 1;20(1):183-94. | ||||
| REF 6 | Discovery of novel sphingosine kinase 1 inhibitorsvia structure-based hierarchical virtual screening. Medchemcomm. 2015;6:413-7. | ||||
| REF 7 | Novel sphingosine-containing analogues selectively inhibit sphingosine kinase (SK) isozymes, induce SK1 proteasomal degradation and reduce DNA synthesis in human pulmonary arterial smooth muscle cells. Medchemcomm. 2013;4(10):10.1039/C3MD00201B. | ||||
| REF 8 | Discovery of a Potent and Selective Sphingosine Kinase 1 Inhibitor through the Molecular Combination of Chemotype-Distinct Screening Hits. J Med Chem. 2017 Mar 23;60(6):2562-2572. | ||||
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