Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D0W9JM
|
|||
| Former ID |
DNC007479
|
|||
| Drug Name |
KNI-272
|
|||
| Synonyms |
NSC651714; NSC-651714; AC1Q5L2H; (4r)-n-tert-butyl-3-[2-hydroxy-3-({n-[(isoquinolin-5-yloxy)acetyl]-s-methyl-l-cysteinyl}amino)-4-phenylbutanoyl]-1,3-thiazolidine-4-carboxamide; AC1L88B1; KNI 272; 3-(3,4-Dimethoxyphenyl)propionamide; NCI60_018063; 4-Thiazolidinecarboxamide,1-dimethylethyl)-3- [2-hydroxy-3-[[2-[[(5-isoquinolinyloxy)acetyl]amino]-3- (methylthio)-1-oxopropyl]amino]-1-oxo-4-phenylbutyl]-,[4R-[3[2S*,3S*(R*)],4R*]]
Click to Show/Hide
|
|||
| Drug Type |
Small molecular drug
|
|||
| Indication | Human immunodeficiency virus infection [ICD-11: 1C62; ICD-9: 279.3] | Phase 2 | [1] | |
| Structure |
 |
Download2D MOL
|
||
| Formula |
C33H41N5O6S2
|
|||
| Canonical SMILES |
CC(C)(C)NC(=O)C1CSCN1C(=O)C(C(CC2=CC=CC=C2)NC(=O)C(CSC)NC(=O)COC3=CC=CC4=C3C=CN=C4)O
|
|||
| InChI |
1S/C33H41N5O6S2/c1-33(2,3)37-31(42)26-19-46-20-38(26)32(43)29(40)24(15-21-9-6-5-7-10-21)36-30(41)25(18-45-4)35-28(39)17-44-27-12-8-11-22-16-34-14-13-23(22)27/h5-14,16,24-26,29,40H,15,17-20H2,1-4H3,(H,35,39)(H,36,41)(H,37,42)/t24-,25-,26-,29-/m0/s1
|
|||
| InChIKey |
NJBBLOIWMSYVCQ-VZTVMPNDSA-N
|
|||
| CAS Number |
CAS 147318-81-8
|
|||
| PubChem Compound ID | ||||
| ChEBI ID |
CHEBI:80006
|
|||
| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Human immunodeficiency virus Protease (HIV PR) | Target Info | Modulator | [2] |
| References | Top | |||
|---|---|---|---|---|
| REF 1 | Metabolic Characterization of a Tripeptide Human Immunodeficiency Virus Type 1 Protease Inhibitor, KNI-272, in Rat Liver Microsomes. Antimicrob Agents Chemother. 1999 March; 43(3): 549-556. | |||
| REF 2 | Oxidative modifications of kynostatin-272, a potent human immunodeficiency virus type 1 protease inhibitor: potential mechanism for altered activit... Antimicrob Agents Chemother. 2002 Feb;46(2):402-8. | |||
If You Find Any Error in Data or Bug in Web Service, Please Kindly Report It to Dr. Zhou and Dr. Zhang.