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Drug Name:
Category: PADi
Description: YW4-15 has a PAD4 inhibition efficacy.
Synonyms:

Structural Information:
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

Clinical Information:
FDA status: Experimental
FDA_UNII: -
Clinical Trials : Not recruiting
Clinical Trials


Bioassay Information: YW4-15
Source: PubChem Bioassay database
No information available for YW4-15


References:
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