| Category: | PADi |
| Description: | YW4-15 has a PAD4 inhibition efficacy. |
| Synonyms: |
| 2D Image: |  |
| Structure 2D: | Download |
| Molecular Formula: | C41H54ClN9O5S |
| Molecular Weight: | 820.451 g/mol |
| IUPAC name: | N-[(2S)-5-[(1-amino-2-chloroethylidene)amino]-1-oxo-1-[[4-[4-[5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno [3,4-d]imidazol-4-yl)pentanoylamino]butanoylamino]phenyl]methylamino]pentan-2-yl]-6-(dimethylamino)n aphthalene-2-carboxamide |
| InChI: | InChI=1S/C41H54ClN9O5S/c1-51(2)31-18-15-27-21-29(14-13-28(27)22-31)39(54)48-32(7 -5-19-44-35(43)23-42)40(55)46-24-26-11-16-30(17-12-26)47-37(53)10-6-20-45-36(52) 9-4-3-8-34-38-33(25-57-34)49-41(56)50-38/h11-18,21-22,32-34,38H,3-10,19-20,23-25 H2,1-2H3,(H2,43,44)(H,45,52)(H,46,55)(H,47,53)(H,48,54)(H2,49,50,56)/t32-,33?,34 ?,38?/m0/s1 |
| SMILES: | CN(C)C1=CC2=C(C=C1)C=C(C=C2)C(=O)NC(CCCN=C(CCl)N)C(=O)NCC3=C C=C(C=C3)NC(=O)CCCNC(=O)CCCCC4C5C(CS4)NC(=O)N5 |
| FDA status: | Experimental |
| FDA_UNII: | - |
| Clinical Trials : | Not recruiting Clinical Trials |
| No information available for YW4-15 |
| Literature Reference: | PMC3406678 |
| Literature: | Pubmed Google Scholar |
| PubChem ID: | 56970509 |
| PubChem Citation: | National Center for Biotechnology Information. PubChem Compound Database; CID=56970509, https://pubchem.ncbi.nlm.nih.gov/compound/56970509 (accessed Mar. 8, 2019). |
| ChEMBL ID: | CHEMBL3682419 |
| ZINC DB: | - |
| LiverTox: | Not available for YW4-15 |
| Human Metabolome database : | HMDB |