Details of the Drug

General Information of Drug (ID: DM870UV)

Drug Name

3-Methyl-2-phenyl-2H-chromeno[4,3-c]pyrazol-4-one

Synonyms

86100-07-4; CHEMBL102071; CTK2I3740; DTXSID80574491; AKOS030534429; 3-Methyl-2-phenyl[1]benzopyrano[4,3-c]pyrazol-4(2H)-one; [1]Benzopyrano[4,3-c]pyrazol-4(2H)-one, 3-methyl-2-phenyl-

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)

276.29

Logarithm of the Partition Coefficient (xlogp)

3.4

Rotatable Bond Count (rotbonds)

1

Hydrogen Bond Donor Count (hbonddonor)

0

Hydrogen Bond Acceptor Count (hbondacc)

3

Chemical Identifiers

Formula: C17H12N2O2
IUPAC Name: 3-methyl-2-phenylchromeno[4,3-c]pyrazol-4-one
Canonical SMILES: CC1=C2C(=NN1C3=CC=CC=C3)C4=CC=CC=C4OC2=O
InChI: InChI=1S/C17H12N2O2/c1-11-15-16(18-19(11)12-7-3-2-4-8-12)13-9-5-6-10-14(13)21-17(15)20/h2-10H,1H3
InChIKey: VJSRCIFAUSKZHJ-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 15569045
CAS Number: 86100-07-4
TTD ID: D06ZOM

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
GABA(A) receptor alpha-1 (GABRA1)	TT1MPAY	GBRA1_HUMAN	Inhibitor	[1]
GABA(A) receptor gamma-2 (GABRG2)	TT06RH5	GBRG2_HUMAN	Inhibitor	[1]
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	Synthesis, binding studies, and structure-activity relationships of 1-aryl-and 2-aryl[1]benzopyranopyrazol-4-ones, central benzodiazepine receptor ... J Med Chem. 1988 Jan;31(1):1-3.