Details of the Drug

General Information of Drug (ID: DMQSWO8)

Drug Name
N-Hydroxy-4-oxo-4-(4-phenoxy-phenyl)-butyramide
Synonyms CHEMBL198055; N-Hydroxy-4-oxo-4-(4-phenoxy-phenyl)-butyramide
Indication
Disease Entry ICD 11 Status REF
Discovery agent N.A. Investigative [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 285.29
Logarithm of the Partition Coefficient (xlogp) 2.1
Rotatable Bond Count (rotbonds) 6
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 4
Chemical Identifiers
Formula
C16H15NO4
IUPAC Name
N-hydroxy-4-oxo-4-(4-phenoxyphenyl)butanamide
Canonical SMILES
C1=CC=C(C=C1)OC2=CC=C(C=C2)C(=O)CCC(=O)NO
InChI
InChI=1S/C16H15NO4/c18-15(10-11-16(19)17-20)12-6-8-14(9-7-12)21-13-4-2-1-3-5-13/h1-9,20H,10-11H2,(H,17,19)
InChIKey
NOELKUBXWDTLKR-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
44404478
ChEBI ID
CHEMBL198055
TTD ID
D06BYR
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Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Matrix metalloproteinase-1 (MMP-1) TTMX39J MMP1_HUMAN Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Receptor flexibility in de novo ligand design and docking. J Med Chem. 2005 Oct 20;48(21):6585-96.