Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D0J6XO
|
|||
| Former ID |
DNC002333
|
|||
| Drug Name |
A-331440
|
|||
| Synonyms |
A-331440; UNII-45WZM2FLYQ; 392338-13-5; A 331440; 45WZM2FLYQ; CHEMBL319000; GTPL4023; SCHEMBL5216650; ZINC22452295; BDBM50240709; 4-[4-[3-[(3R)-3-dimethylaminopyrrolidin-1-yl]propoxy]phenyl]benzonitrile; 4'-(3-((3R)-3-(Dimethylamino)pyrrolidinyl)propoxy)(1,1'-biphenyl)-4-carbonitrile; (1,1'-Biphenyl)-4-carbonitrile, 4'-(3-((3R)-3-(dimethylamino)-1-pyrrolidinyl)propoxy)-; KB-74351; A331440; 4''-[3-((R)-3-Dimethylamino-pyrrolidin-1-yl)-propoxy]-biphenyl-4-carbonitrile
Click to Show/Hide
|
|||
| Drug Type |
Small molecular drug
|
|||
| Indication | Obesity [ICD-11: 5B81; ICD-10: E66; ICD-9: 278] | Investigative | [1] | |
| Company |
Abbott
|
|||
| Structure |
 |
Download2D MOL |
||
| Formula |
C22H27N3O
|
|||
| Canonical SMILES |
CN(C)C1CCN(C1)CCCOC2=CC=C(C=C2)C3=CC=C(C=C3)C#N
|
|||
| InChI |
1S/C22H27N3O/c1-24(2)21-12-14-25(17-21)13-3-15-26-22-10-8-20(9-11-22)19-6-4-18(16-23)5-7-19/h4-11,21H,3,12-15,17H2,1-2H3/t21-/m1/s1
|
|||
| InChIKey |
FXIPXWLVYIHFEP-OAQYLSRUSA-N
|
|||
| CAS Number |
CAS 392338-13-5
|
|||
| PubChem Compound ID | ||||
| PubChem Substance ID | ||||
| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Histamine H3 receptor (H3R) | Target Info | Antagonist | [2] |
| KEGG Pathway | Neuroactive ligand-receptor interaction | |||
| Reactome | Histamine receptors | |||
| G alpha (i) signalling events | ||||
| WikiPathways | Monoamine Transport | |||
| GPCRs, Class A Rhodopsin-like | ||||
| GPCR ligand binding | ||||
| GPCR downstream signaling | ||||
| References | Top | |||
|---|---|---|---|---|
| REF 1 | URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 4023). | |||
| REF 2 | The histamine H3 receptor: from gene cloning to H3 receptor drugs. Nat Rev Drug Discov. 2005 Feb;4(2):107-20. | |||
If You Find Any Error in Data or Bug in Web Service, Please Kindly Report It to Dr. Zhou and Dr. Zhang.