Drug Information
| Drug General Information | |||||
|---|---|---|---|---|---|
| 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
|
||||
| Drug Type |
Small molecular drug
|
||||
| Indication | Human immunodeficiency virus infection [ICD9: 279.3; ICD10:B20-B26] | Terminated | [545680] | ||
| Structure |
|
Download2D MOL |
|||
| Formula |
C31H45N3O7S3
|
||||
| Canonical SMILES |
Cc1c(O)cccc1C(=O)N[C@@H](CSc2ccccc2)[C@H](O)CN3C[C@H]4C<br />CS[C@H]4C[C@H]3C(=O)NC(C)(C)C.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 | |||||
| Target(s) | HIV protease | Target Info | Inhibitor | [551632], [551871] | |
| References | |||||
| Ref 551632 | 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 551871 | 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.