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]
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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

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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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.