Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D07PIA
|
|||
| Former ID |
DIB015331
|
|||
| Drug Name |
AG-1350
|
|||
| Synonyms |
LY-316957; LY-316340 (free base); N-[3-[(3aR,6S,7aS)-6-(N-tert-Butylcarbamoyl)octahydrothieno[3,2-c]pyridin-5-yl)-2(R)-hydroxy-1(R)-(phenylsulfanylmethyl)propyl]-3-hydroxy-2-methylbenzamide methanesulfonate
Click to Show/Hide
|
|||
| Drug Type |
Small molecular drug
|
|||
| Indication | Human immunodeficiency virus infection [ICD-11: 1C62; ICD-9: 279.3] | Terminated | [1] | |
| Structure |
 |
Download2D MOL |
||
| Formula |
C31H45N3O7S3
|
|||
| Canonical SMILES |
CC1=C(C=CC=C1O)C(=O)NC(CSC2=CC=CC=C2)C(CN3CC4CCSC4CC3C(=O)NC(C)(C)C)O.CS(=O)(=O)O
|
|||
| InChI |
1S/C30H41N3O4S2.CH4O3S/c1-19-22(11-8-12-25(19)34)28(36)31-23(18-39-21-9-6-5-7-10-21)26(35)17-33-16-20-13-14-38-27(20)15-24(33)29(37)32-30(2,3)4;1-5(2,3)4/h5-12,20,23-24,26-27,34-35H,13-18H2,1-4H3,(H,31,36)(H,32,37);1H3,(H,2,3,4)/t20-,23+,24+,26-,27+;/m1./s1
|
|||
| InChIKey |
WYCLUAUPFCMDTI-KZMNDDLNSA-N
|
|||
| PubChem Compound ID | ||||
| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Human immunodeficiency virus Protease (HIV PR) | Target Info | Inhibitor | [2], [3] |
| 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 800004154) | |||
| REF 2 | Ly316340: A potent HIV-1 protease inhibitor containing a high affinity octahydrothienopyridine hydroxyethylamine isostere. Bioorganic & Medicinal Chemistry Letters Volume 5, Issue 23, 7 December 1995, Pages 2885-2890. | |||
| REF 3 | Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health & Human Services. 2015 | |||
If You Find Any Error in Data or Bug in Web Service, Please Kindly Report It to Dr. Zhou and Dr. Zhang.