Details of the Drug

General Information of Drug (ID: DMQN6CL)

Drug Name
N-Hydroxy-4-(4-methoxy-phenyl)-4-oxo-butyramide
Synonyms CHEMBL366010; N-Hydroxy-4-(4-methoxy-phenyl)-4-oxo-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) 223.22
Logarithm of the Partition Coefficient (xlogp) 0.6
Rotatable Bond Count (rotbonds) 5
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 4
Chemical Identifiers
Formula
C11H13NO4
IUPAC Name
N-hydroxy-4-(4-methoxyphenyl)-4-oxobutanamide
Canonical SMILES
COC1=CC=C(C=C1)C(=O)CCC(=O)NO
InChI
InChI=1S/C11H13NO4/c1-16-9-4-2-8(3-5-9)10(13)6-7-11(14)12-15/h2-5,15H,6-7H2,1H3,(H,12,14)
InChIKey
YUAIIHPYXRCTLQ-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
44404461
ChEBI ID
CHEMBL366010
TTD ID
D08ZDD
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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.