Details of the Drug

General Information of Drug (ID: DMWXUCT)

Drug Name
N-hydroxy-3-(2-oxo-2H-chromen-3-yl)propanamide
Synonyms CHEMBL252674; N-hydroxy-3-(2-oxo-2H-chromen-3-yl)propanamide; 2H-1-Benzopyran-3-propanamide, N-hydroxy-2-oxo-; BDBM50224963
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) 233.22
Logarithm of the Partition Coefficient (xlogp) 0.9
Rotatable Bond Count (rotbonds) 3
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 4
Chemical Identifiers
Formula
C12H11NO4
IUPAC Name
N-hydroxy-3-(2-oxochromen-3-yl)propanamide
Canonical SMILES
C1=CC=C2C(=C1)C=C(C(=O)O2)CCC(=O)NO
InChI
InChI=1S/C12H11NO4/c14-11(13-16)6-5-9-7-8-3-1-2-4-10(8)17-12(9)15/h1-4,7,16H,5-6H2,(H,13,14)
InChIKey
HJRCGMHZQDXQAO-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
44446270
ChEBI ID
CHEMBL252674
TTD ID
D00RNA
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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]
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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.