Details of the Drug

General Information of Drug (ID: DMA6EPH)

Drug Name
N-hydroxy-3-(6-methoxy-2-oxo-2H-chromen-3-yl)
Synonyms CHEMBL402990; N-hydroxy-3-(6-methoxy-2-oxo-2H-chromen-3-yl)
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) 263.25
Logarithm of the Partition Coefficient (xlogp) 0.9
Rotatable Bond Count (rotbonds) 4
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 5
Chemical Identifiers
Formula
C13H13NO5
IUPAC Name
N-hydroxy-3-(6-methoxy-2-oxochromen-3-yl)propanamide
Canonical SMILES
COC1=CC2=C(C=C1)OC(=O)C(=C2)CCC(=O)NO
InChI
InChI=1S/C13H13NO5/c1-18-10-3-4-11-9(7-10)6-8(13(16)19-11)2-5-12(15)14-17/h3-4,6-7,17H,2,5H2,1H3,(H,14,15)
InChIKey
JUDXBTMVZVWJNP-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
44446277
ChEBI ID
CHEMBL402990
TTD ID
D08ICI
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Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Matrix metalloproteinase-2 (MMP-2) TTLM12X MMP2_HUMAN Inhibitor [1]
Matrix metalloproteinase-9 (MMP-9) TT6X50U MMP9_HUMAN Inhibitor [1]
TNF alpha converting enzyme (ADAM17) TT6AZXG ADA17_HUMAN Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Chromen-based TNF-alpha converting enzyme (TACE) inhibitors: design, synthesis, and biological evaluation. Bioorg Med Chem. 2008 Jan 1;16(1):530-5.