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]
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
ChEBI ID
CHEMBL102071
CAS Number
86100-07-4
TTD ID
D06ZOM
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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]
Molecular Interaction Atlas (MIA) 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.