Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D09OBJ
|
|||
| Former ID |
DNC004622
|
|||
| Drug Name |
RWJ-50353
|
|||
| Synonyms |
RWJ-50353; CHEMBL270437; CHEMBL339122; BDBM50131975; BDBM50228853; (S)-N-((S)-1-(benzo[d]thiazol-2-yl)-5-guanidino-1-oxopentan-2-yl)-1-((R)-2-(methylamino)-3-phenylpropanoyl)pyrrolidine-2-carboxamide; (S)-1-((R)-2-Methylamino-3-phenyl-propionyl)-pyrrolidine-2-carboxylic acid [(S)-1-(benzothiazole-2-carbonyl)-4-guanidino-butyl]-amide; 1-(2-Methylamino-3-phenyl-propionyl)-pyrrolidine-2-carboxylic acid [1-(benzothiazole-2-carbonyl)-4-guanidino-butyl]-amide
Click to Show/Hide
|
|||
| Drug Type |
Small molecular drug
|
|||
| Indication | Discovery agent [ICD-11: N.A.] | Investigative | [1] | |
| Structure |
 |
Download2D MOL |
||
| Formula |
C28H35N7O3S
|
|||
| Canonical SMILES |
CNC(CC1=CC=CC=C1)C(=O)N2CCCC2C(=O)NC(CCCN=C(N)N)C(=O)C3=NC4=CC=CC=C4S3
|
|||
| InChI |
1S/C28H35N7O3S/c1-31-21(17-18-9-3-2-4-10-18)27(38)35-16-8-13-22(35)25(37)33-20(12-7-15-32-28(29)30)24(36)26-34-19-11-5-6-14-23(19)39-26/h2-6,9-11,14,20-22,31H,7-8,12-13,15-17H2,1H3,(H,33,37)(H4,29,30,32)/t20-,21+,22-/m0/s1
|
|||
| InChIKey |
QRBIRSCLEVEODD-BDTNDASRSA-N
|
|||
| PubChem Compound ID | ||||
| References | Top | |||
|---|---|---|---|---|
| REF 1 | Inhibitors of proteases and amide hydrolases that employ an alpha-ketoheterocycle as a key enabling functionality. Bioorg Med Chem. 2008 Feb 15;16(4):1562-95. | |||
| REF 2 | In-depth study of tripeptide-based alpha-ketoheterocycles as inhibitors of thrombin. Effective utilization of the S1' subsite and its implications ... J Med Chem. 2005 Mar 24;48(6):1984-2008. | |||
If You Find Any Error in Data or Bug in Web Service, Please Kindly Report It to Dr. Zhou and Dr. Zhang.