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]
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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

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.