Details of the Drug

General Information of Drug (ID: DM0GJZM)

Drug Name

3-aminoacetamido-4'-methylfuro[3,2-g]coumarin

Synonyms

CHEMBL202017; BDBM50181852

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)

272.26

Logarithm of the Partition Coefficient (xlogp)

1.2

Rotatable Bond Count (rotbonds)

2

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

5

Chemical Identifiers

Formula: C14H12N2O4
IUPAC Name: 2-amino-N-(3-methyl-7-oxofuro[3,2-g]chromen-6-yl)acetamide
Canonical SMILES: CC1=COC2=C1C=C3C=C(C(=O)OC3=C2)NC(=O)CN
InChI: InChI=1S/C14H12N2O4/c1-7-6-19-12-4-11-8(2-9(7)12)3-10(14(18)20-11)16-13(17)5-15/h2-4,6H,5,15H2,1H3,(H,16,17)
InChIKey: MNKUYMIFZBIEPU-UHFFFAOYSA-N

Cross-matching ID

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Monoamine oxidase type A (MAO-A)	TT3WG5C	AOFA_HUMAN	Inhibitor	[1]

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Molecular Interaction Atlas (MIA)

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Molecular Expression Atlas of This Drug

The Studied Disease

Discovery agent

ICD Disease Classification

N.A.

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Monoamine oxidase type A (MAO-A)	DTT	MAOA	8.14E-01	0.05	0.1

Molecular Expression Atlas (MEA)

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References

1	A QSAR model for in silico screening of MAO-A inhibitors. Prediction, synthesis, and biological assay of novel coumarins. J Med Chem. 2006 Feb 9;49(3):1149-56.