Details of the Drug

General Information of Drug (ID: DMGQHBU)

Drug Name

2-(4-Amino-phenyl)-6-methyl-chromen-4-one

Synonyms

CHEMBL132422; 468060-73-3; CTK1D1882; DTXSID00451376; ZINC13491190; AKOS022269882; KB-191927; 4h-1-benzopyran-4-one,2-(4-aminophenyl)-6-methyl-; 4H-1-Benzopyran-4-one, 2-(4-aminophenyl)-6-methyl-

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)

251.28

Logarithm of the Partition Coefficient (xlogp)

3.2

Rotatable Bond Count (rotbonds)

1

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

3

Chemical Identifiers

Formula: C16H13NO2
IUPAC Name: 2-(4-aminophenyl)-6-methylchromen-4-one
Canonical SMILES: CC1=CC2=C(C=C1)OC(=CC2=O)C3=CC=C(C=C3)N
InChI: InChI=1S/C16H13NO2/c1-10-2-7-15-13(8-10)14(18)9-16(19-15)11-3-5-12(17)6-4-11/h2-9H,17H2,1H3
InChIKey: BCMMIAHCWHQZDZ-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 10999496
CAS Number: 468060-73-3
TTD ID: D0L4AR

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Gamma-aminobutyric acid receptor (GAR)	TTNJYV2	NOUNIPROTAC	Inhibitor	[1]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Refinement and evaluation of a pharmacophore model for flavone derivatives binding to the benzodiazepine site of the GABA(A) receptor. J Med Chem. 2002 Sep 12;45(19):4188-201.