Details of the Drug

General Information of Drug (ID: DM1KND6)

Drug Name

1,3-Diphenyl-1H-chromeno[4,3-c]pyrazol-4-one

Synonyms

100008-84-2; [1]Benzopyrano[4,3-c]pyrazol-4(1H)-one, 1,3-diphenyl-; ACMC-20m32m; CHEMBL99633; CTK0G9179; DTXSID70541117; AKOS030534409; J3.620.041C; 1,3-Diphenyl[1]benzopyrano[4,3-c]pyrazole-4(1H)-one

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)

338.4

Logarithm of the Partition Coefficient (xlogp)

4.7

Rotatable Bond Count (rotbonds)

2

Hydrogen Bond Donor Count (hbonddonor)

0

Hydrogen Bond Acceptor Count (hbondacc)

3

Chemical Identifiers

Formula: C22H14N2O2
IUPAC Name: 1,3-diphenylchromeno[4,3-c]pyrazol-4-one
Canonical SMILES: C1=CC=C(C=C1)C2=NN(C3=C2C(=O)OC4=CC=CC=C43)C5=CC=CC=C5
InChI: InChI=1S/C22H14N2O2/c25-22-19-20(15-9-3-1-4-10-15)23-24(16-11-5-2-6-12-16)21(19)17-13-7-8-14-18(17)26-22/h1-14H
InChIKey: ZPXTZMAWXDLUOO-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 13448492
CAS Number: 100008-84-2
TTD ID: D06QOX

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.