Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D0T0IX
|
|||
| Former ID |
DNC002962
|
|||
| Drug Name |
WRR-112
|
|||
| Synonyms |
WRR-112; N-[3-CARBOXY-2-HYDROXY-PROPIONYL]-L-HOMOPHENYLALANYL-AMINO-2-METHYLBUTANE; AC1NRD12; DB03691; (3S)-3-hydroxy-4-({(2S)-1-[(3-methylbutyl)amino]-1-oxo-4-phenylbutan-2-yl}amino)-4-oxobutanoic acid; (3S)-3-hydroxy-3-{[(1S)-1-[(3-methylbutyl)carbamoyl]-3-phenylpropyl]carbamoyl}propanoic acid; (3S)-3-hydroxy-4-[[(2S)-1-(3-methylbutylamino)-1-oxo-4-phenylbutan-2-yl]amino]-4-oxobutanoic acid
Click to Show/Hide
|
|||
| Drug Type |
Small molecular drug
|
|||
| Indication | Discovery agent [ICD-11: N.A.] | Investigative | [1] | |
| Structure |
 |
Download2D MOL |
||
| Formula |
C19H28N2O5
|
|||
| Canonical SMILES |
CC(C)CCNC(=O)C(CCC1=CC=CC=C1)NC(=O)C(CC(=O)O)O
|
|||
| InChI |
1S/C19H28N2O5/c1-13(2)10-11-20-18(25)15(9-8-14-6-4-3-5-7-14)21-19(26)16(22)12-17(23)24/h3-7,13,15-16,22H,8-12H2,1-2H3,(H,20,25)(H,21,26)(H,23,24)/t15-,16-/m0/s1
|
|||
| InChIKey |
KVZMXOVSHIMGNA-HOTGVXAUSA-N
|
|||
| PubChem Compound ID | ||||
| PubChem Substance ID | ||||
| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Cathepsin F (CTSF) | Target Info | Inhibitor | [1] |
| Trypanosoma Cruzipain (Trypano CYSP) | Target Info | Inhibitor | [1] | |
| KEGG Pathway | Lysosome | |||
| NetPath Pathway | IL2 Signaling Pathway | |||
| Reactome | MHC class II antigen presentation | |||
| References | Top | |||
|---|---|---|---|---|
| REF 1 | How many drug targets are there Nat Rev Drug Discov. 2006 Dec;5(12):993-6. | |||
If You Find Any Error in Data or Bug in Web Service, Please Kindly Report It to Dr. Zhou and Dr. Zhang.