Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D0J5GT
|
|||
| Former ID |
DNC009742
|
|||
| Drug Name |
ZANKIREN
|
|||
| Synonyms |
Zankiren; UNII-I36B16A34Q; CHEMBL113841; I36B16A34Q; A-72517; Zankiren [INN]; 138742-43-5; A 72517; AC1MJ6K5; SCHEMBL180700; ZINC27084753; BDBM50046798; (S)-N-((1S,2R,3S)-1-(Cyclohexylmethyl)-2,3-dihydroxy-5-methylhexyl)-alpha-((alphaS)-alpha-(((4-methyl-1-piperazinyl)sulfonyl)methyl)hydrocinnamamido)-4-thiazolepropionamide; (1S-(1R*(R*(R*)),2S*,3R*))-N-(1-(Cyclohexylmethyl)-2,3-dihydroxy-5-methylhexyl)-alpha-((2-(((4-methyl-1-piperazinyl)sulfonyl)methyl)-1-oxo-3-phenylpropyl)amino)-4-thiazolepropanamide
Click to Show/Hide
|
|||
| Drug Type |
Small molecular drug
|
|||
| Indication | Hypertension [ICD-11: BA00-BA04; ICD-9: 401] | Discontinued in Phase 2 | [1] | |
| Structure |
 |
Download2D MOL |
||
| Formula |
C35H55N5O6S2
|
|||
| Canonical SMILES |
CC(C)CC(C(C(CC1CCCCC1)NC(=O)C(CC2=CSC=N2)NC(=O)C(CC3=CC=CC=C3)CS(=O)(=O)N4CCN(CC4)C)O)O
|
|||
| InChI |
1S/C35H55N5O6S2/c1-25(2)18-32(41)33(42)30(20-27-12-8-5-9-13-27)37-35(44)31(21-29-22-47-24-36-29)38-34(43)28(19-26-10-6-4-7-11-26)23-48(45,46)40-16-14-39(3)15-17-40/h4,6-7,10-11,22,24-25,27-28,30-33,41-42H,5,8-9,12-21,23H2,1-3H3,(H,37,44)(H,38,43)/t28-,30+,31+,32+,33-/m1/s1
|
|||
| InChIKey |
YFDSDRDMDDGDFC-HOQQKOLYSA-N
|
|||
| CAS Number |
CAS 138742-43-5
|
|||
| PubChem Compound ID | ||||
| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Angiotensinogenase renin (REN) | Target Info | Inhibitor | [2] |
| KEGG Pathway | Renin-angiotensin system | |||
| Pathwhiz Pathway | Angiotensin Metabolism | |||
| Reactome | Metabolism of Angiotensinogen to Angiotensins | |||
| WikiPathways | ACE Inhibitor Pathway | |||
| Metabolism of Angiotensinogen to Angiotensins | ||||
| References | Top | |||
|---|---|---|---|---|
| REF 1 | Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800002065) | |||
| REF 2 | Design and preparation of potent, nonpeptidic, bioavailable renin inhibitors. J Med Chem. 2009 Jun 25;52(12):3689-702. | |||
If You Find Any Error in Data or Bug in Web Service, Please Kindly Report It to Dr. Zhou and Dr. Zhang.