Target Poor or Non Binder(s) Information
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T37693 | Target Info | |||
| Target Name | Cannabinoid receptor 2 (CB2) | ||||
| Synonyms |
hCB2; Cannabinoid CB2 receptor; CX5; CB2B; CB2A; CB-2
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| Target Type | Successful Target | ||||
| Gene Name | CNR2 | ||||
| Biochemical Class | GPCR rhodopsin | ||||
| UniProt ID | |||||
| Poor Binders of This Target (in total, 17 binders) | Download | Top | |||
|---|---|---|---|---|---|
| Compound Name |
LY320135
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Investigative | Compound Info | ||
| Synonyms |
LY 320135; LY-320135
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| Activity |
Ki = 67608.3 nM
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[1] | |||
| Compound Name |
Schembl20599319
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL2413162; BDBM50438782; ZINC96282637; AKOS037515336; (9Z,12Z,15Z)-N-(3-Methoxybenzyl)-9,12,15-octadecatrieneamide; (9Z,12Z,15Z)-N-(3-Methoxybenzyl)octadeca-9,12,15-trienamide; (9Z,12Z,15Z)-N-[(3-METHOXYPHENYL)METHYL]OCTADECA-9,12,15-TRIENAMIDE
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| Activity |
Ki ~ 50000 nM
|
[2] | |||
| Compound Name |
1-(6-(2-Chloropyridin-4-yl)-5-(4-(trifluoromethyl)phenyl)pyrazin-2-yl)-3-(ethylamino)azetidine-3-carboxamide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL498783; BDBM50260803
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| Activity |
Ki ~ 50000 nM
|
[3] | |||
| Compound Name |
Chembl4206416
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Investigative | Compound Info | ||
| Synonyms |
BDBM50451737
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| Activity |
Ki = 52600 nM
|
[4] | |||
| Compound Name |
1-[4-[4-[5-(Diethylcarbamoyl)-2-[(4-ethoxyphenyl)methyl]benzimidazol-1-yl]butyl-methylamino]butyl]-2-[(4-ethoxyphenyl)methyl]-N,N-diethylbenzimidazole-5-carboxamide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3310163; BDBM50048482
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| Activity |
EC50 = 57543.99 nM
|
[5] | |||
| Compound Name |
N-[2-(2-Chlorophenyl)-3-(4-chlorophenyl)-5,6,7,8-tetrahydrooxepino[3,2-c]pyrazol-8-yl]-2-methylsulfonylacetamide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL2063250; BDBM50388897
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| Activity |
Ki = 59000 nM
|
[6] | |||
| Compound Name |
N-(Cyclopropylmethyl)-4-(3,5-dimethoxyanilino)-2-(trifluoromethoxy)benzenesulfonamide
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Investigative | Compound Info | ||
| Synonyms |
SCHEMBL3030531; CHEMBL3942034; BDBM242437; US9422235, 11
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| Activity |
IC50 = 59970 nM
|
[7] | |||
| Compound Name |
CID 12000925
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL2063252; SCHEMBL4695780; BDBM50388884
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| Activity |
Ki = 75600 nM
|
[6] | |||
| Compound Name |
4-(Cyclopropylamino)-N-(cyclopropylmethyl)-2-(trifluoromethyl)benzenesulfonamide
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Investigative | Compound Info | ||
| Synonyms |
SCHEMBL3044630; CHEMBL3975461; BDBM242513; US9422235, 97
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| Activity |
Ki = 86980 nM
|
[7] | |||
| Compound Name |
Chembl4210152
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Investigative | Compound Info | ||
| Synonyms |
BDBM50451739
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| Activity |
Ki ~ 100000 nM
|
[4] | |||
| Compound Name |
N-(1-Adamantyl)-7-methylsulfanyl-1-(2-morpholin-4-ylethyl)indole-3-carboxamide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL4104806; BDBM50257607
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| Activity |
EC50 ~ 100000 nM
|
[8] | |||
| Compound Name |
N-(1-Adamantyl)-1-(2-morpholin-4-ylethyl)indole-3-carboxamide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL4073323; BDBM50257660
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| Activity |
IC50 ~ 100000 nM
|
[8] | |||
| Compound Name |
Chembl4203175
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Investigative | Compound Info | ||
| Synonyms |
BDBM50451736
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| Activity |
Ki ~ 100000 nM
|
[4] | |||
| Compound Name |
N-(1-Adamantyl)-7-methoxy-1-(2-morpholin-4-ylethyl)indole-3-carboxamide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL4086928; BDBM50257608
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| Activity |
EC50 ~ 100000 nM
|
[8] | |||
| Compound Name |
Chembl4176556
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|
Investigative | Compound Info | ||
| Synonyms |
BDBM50450102
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|
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| Activity |
IC50 ~ 100000 nM
|
[9] | |||
| Compound Name |
(+/-)-Ibipinabant
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Investigative | Compound Info | ||
| Synonyms |
(+/-)-SLV 319; ((plusmn))-SLV319; (R)-SLV 319; CHEMBL158784; Ibipinabant (racemic); SLV319; 362519-49-1 (racemic); SLV-319; BMS 646256; SLV 319;JD 5001;Ibipinabant; (+/-)-SLV319;(+/-)-BMS6462; C23H20Cl2N4O2S; RAC-IBIPINABANT; (+/-)-SLV319; R-SLV319; SCHEMBL1315229; SCHEMBL14740149; BDBM29094; CTK8E8422; (+/-)-SLV319(Ibipinabant); DTXSID60457819; rac-(+/-)-SLV 319; HMS3650M14; BCP30069; EX-A3299; 1056AH; BDBM50230411; HY-14791A; ZB0029; AKOS024458248; CS-6430; (inverted exclamation markA)-SLV-319; (R)-(+)-SLV 319; AK555637; BS-17130; SR-01000946306; SR-01000946306-1
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| Activity |
Ki = 125892.54 nM
|
[1] | |||
| Compound Name |
(1S,2S)-2-(4-(5-((5-Chloropyridin-2-yl)thio)-1-methyl-1H-imidazol-4-yl)phenyl)-N,N-dimethylcyclopropanecarboxamide
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Investigative | Compound Info | ||
| Synonyms |
UNII-CJ67MDQ7KO; CJ67MDQ7KO; MK-3168; CHEMBL2386571; SCHEMBL2681510; CHEMBL2386558; BDBM50434313; ZINC68247237
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| Activity |
IC50 = 150000 nM
|
[10] | |||
| Click to Show/Hide the Information of All Poor Binders | |||||
| Non Binders of This Target (in total, 14 non binders) | Download | Top | |||
|---|---|---|---|---|---|
| Compound Name |
SR141716A
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|
Approved | Compound Info | ||
| Synonyms |
168273-06-1; Zimulti; UNII-RML78EN3XE; RML78EN3XE; CHEMBL111; Rimonabant (SR141716); CHEBI:34967; JZCPYUJPEARBJL-UHFFFAOYSA-N; 1H-Pyrazole-3-carboxamide, 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-N-1-piperidinyl-; NCGC00164572-01; Rimonbant
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| Activity |
Ki = 2511886.43 nM
|
[1] | |||
| Compound Name |
AM251
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|
Investigative | Compound Info | ||
| Synonyms |
AM251; 183232-66-8; AM-251; AM 251; UNII-3I4FA44MAI; N-(Piperidin-1-yl)-5-(4-iodophenyl)-1-(2,4-dichlorophenyl)-4-methyl-1H-pyrazole-3-carboxamide; 1-(2,4-dichlorophenyl)-5-(4-iodophenyl)-4-methyl-N-(piperidin-1-yl)-1H-pyrazole-3-carboxamide; 3I4FA44MAI; CHEMBL285932; CHEBI:90724; MFCD01861181; CPD000466284; 1-(2,4-dichlorophenyl)-5-(4-iodophenyl)-4-methyl-N-piperidin-1-ylpyrazole-3-carboxamide; N-(Piperidin-1-yl)-5-(4-iodophenyl)-1-(2, 4-dichlorophenyl)-4-methyl-1H-pyrazole-3-carboxamide
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|
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| Activity |
Ki = 8912509.38 nM
|
[1] | |||
| Compound Name |
N-(1-Adamantyl)-6-[(2,4-dichlorophenyl)methyl]-4-oxo-1-pentylquinoline-3-carboxamide
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL1215952; BDBM50324631; 6-(2,4-Dichloro-benzyl)-4-oxo-1-pentyl-1,4-dihydro-quinoline-3-carboxylic acid adamantan-1-ylamide
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| Activity |
Ki = 257039.58 nM
|
[1] | |||
| Compound Name |
2-(2-Chlorophenyl)-3-(4-chlorophenyl)-6-(2-methylpropyl)-4,5-dihydropyrazolo[3,4-c]pyridin-7-one
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL482985; BDBM29065
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|
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| Activity |
Ki = 562341.33 nM
|
[1] | |||
| Compound Name |
Dibenzo[b,f][1,4]thiazepine-8-carboxamide, N-butyl-11-(3-chloro-4-fluorophenyl)-
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|
Investigative | Compound Info | ||
| Synonyms |
dibenzothiazepine, 12h; CHEMBL520349; SCHEMBL5064789; BDBM29100; Dibenzo[b,f][1,4]thiazepine-8-carboxamide,N-butyl-11-(3-chloro-4-fluorophenyl)-; N-butyl-6-(3-chloro-4-fluorophenyl)benzo[b][1,4]benzothiazepine-3-carboxamide
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|
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| Activity |
Ki = 1000000 nM
|
[1] | |||
| Compound Name |
6-Bromo-N-hexyl-4-oxo-1-pentylquinoline-3-carboxamide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL1668503
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|
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| Activity |
Ki = 1122018.45 nM
|
[1] | |||
| Compound Name |
N3-(1-Naphthyl)-1-butyl-4-oxo-1,4-dihydroquinoline-3-carboxamide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL200179; BDBM50180042
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|
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| Activity |
Ki = 2187761.62 nM
|
[1] | |||
| Compound Name |
N-(1-Adamantyl)-4-oxo-1-pentyl-6-(2-phenylethynyl)quinoline-3-carboxamide
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL1215889; BDBM50324649; N-(Adamantan-1-yl)-4-oxo-1-pentyl-6-(2-phenylethynyl)-1,4-dihydroquinoline-3-carboxamide
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| Activity |
Ki = 2951209.23 nM
|
[1] | |||
| Compound Name |
N-(1-Adamantyl)-4-oxo-1-pentyl-6-(4-phenylphenyl)quinoline-3-carboxamide
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL1215891; BDBM50324648; 6-Biphenyl-4-yl-4-oxo-1-pentyl-1,4-dihydro-quinoline-3-carboxylic acidadamantan-1-ylamide
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| Activity |
Ki = 5623413.25 nM
|
[1] | |||
| Compound Name |
Pyrazole-3-carboxamide analogue, 29
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL272035; BDBM21262
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| Activity |
Ki = 6606934.48 nM
|
[1] | |||
| Compound Name |
N-(1-Adamantyl)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-oxo-1-pentylquinoline-3-carboxamide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL1215901; BDBM50324642
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| Activity |
Ki = 9772372.21 nM
|
[1] | |||
| Compound Name |
(E)-N-(Adamant-1-yl)-6-[2-(4-methoxyphenyl)vinyl]-4-oxo-1-pentyl-1,4-dihydroquinoline-3-carboxamide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL524731; BDBM50272546
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| Activity |
Ki = 17782794.1 nM
|
[1] | |||
| Compound Name |
N-Cyclohexyl-1-(2,4-dichlorophenyl)-6-methyl-4H-indeno[1,2-c]pyrazole-3-carboxamide
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Investigative | Compound Info | ||
| Synonyms |
GP 2A; CHEMBL216735; GP-2A; GP2A; SCHEMBL17562960; CTK8E7430; DTXSID00582457; EX-A594; HMS3269N05; HMS3413B06; HMS3677B06; BCP28791; BDBM50200166; ZINC13831250; AKOS024457237; NCGC00167828-01; DA-40540; FT-0700507; BRD-K34608650-001-01-6; Q27164324
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| Activity |
Ki = 131825673.9 nM
|
[1] | |||
| Compound Name |
1-Butanesulfonic acid, 4,4,4-trifluoro-, 3-(((2R)-2,3-dihydro-2-(hydroxymethyl)-1H-inden-4-yl)oxy)phenyl ester
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Investigative | Compound Info | ||
| Synonyms |
BAY-38-7271; SRX4T6TMUS; UNII-SRX4T6TMUS; BAY 38-7271; CHEMBL1668508; BAY-387271; bay38-7271; SCHEMBL8144071; C20H21F3O5S; DTXSID701010009; EX-A4664; ZINC3976110; BDBM50354843; PDSP1_000951; PDSP2_000936; (-)-Bay-38-7271; HY-119744; CS-0077917; Z1724; Q4834697; (-)-(r)-3-(2-hydroxymethylindanyl-4-oxy)phenyl-4,4,4-trifluorobutyl-1-sulfonate
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| Activity |
Ki = 234422881.5 nM
|
[1] | |||
| Click to Show/Hide the Information of All Non Binders | |||||
| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Three-dimensional quantitative structure-selectivity relationships analysis guided rational design of a highly selective ligand for the cannabinoid receptor 2. Eur J Med Chem. 2011 Feb;46(2):547-55. | ||||
| REF 2 | Identification of endocannabinoid system-modulating N-alkylamides from Heliopsis helianthoides var. scabra and Lepidium meyenii. J Nat Prod. 2014 Jul 25;77(7):1663-9. | ||||
| REF 3 | Aminopyrazine CB1 receptor inverse agonists. Bioorg Med Chem Lett. 2008 Jun 1;18(11):3376-81. | ||||
| REF 4 | Novel analogs of PSNCBAM-1 as allosteric modulators of cannabinoid CB1 receptor. Bioorg Med Chem. 2017 Dec 15;25(24):6427-6434. | ||||
| REF 5 | Synthesis and biological evaluation of bivalent cannabinoid receptor ligands based on hCB1 selective benzimidazoles reveal unexpected intrinsic properties. Bioorg Med Chem. 2014 Aug 1;22(15):3938-46. | ||||
| REF 6 | Design of a Potent CB1 Receptor Antagonist Series: Potential Scaffold for Peripherally-Targeted Agents. ACS Med Chem Lett. 2012 Mar 21;3(5):397-401. | ||||
| REF 7 | US patent application no. 9422235B2, Sulfonamide derivatives with therapeutic indications | ||||
| REF 8 | Amidoalkylindoles as Potent and Selective Cannabinoid Type 2 Receptor Agonists with in Vivo Efficacy in a Mouse Model of Multiple Sclerosis. J Med Chem. 2017 Aug 24;60(16):7067-7083. | ||||
| REF 9 | Synthesis of oxidative metabolites of CRA13 and their analogs: Identification of CRA13 active metabolites and analogs thereof with selective CB 2 R affinity. Bioorg Med Chem. 2018 Oct 1;26(18):5069-5078. | ||||
| REF 10 | Discovery of MK-3168: A PET Tracer for Imaging Brain Fatty Acid Amide Hydrolase. ACS Med Chem Lett. 2013 Apr 20;4(6):509-13. | ||||
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