Details of the Drug

General Information of Drug (ID: DM28CLZ)

Drug Name
2-Phenyl-1,2-dihydro-indazol-3-one
Synonyms
3-Indazolinone, 2-phenyl-; 2-phenyl-1H-indazol-3-one; 17049-65-9; MLS-0315919.0001; CHEMBL412902; 2-phenylindazolone; NSC34813; 2-Phenyl-1,2-dihydro-indazol-3-one; 2-phenylindazolin-3-one; 3H-Indazol-3-one, 1,2-dihydro-2-phenyl-; AC1L91HU; cid_411519; SCHEMBL2438599; CHEMBL1719803; BDBM46671; DTXSID20328536; CFNJFZDGHGYAMU-UHFFFAOYSA-N; NSC-34813; ZINC84460115; AKOS023543908; 3H-Indazol-3-one,2-dihydro-2-phenyl-; 1,2-Dihydro-2-phenyl-3H-indazol-3-one; 2-Phenyl-1,2-dihydro-3H-indazol-3-one #
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) 210.23
Logarithm of the Partition Coefficient (xlogp) 2.9
Rotatable Bond Count (rotbonds) 1
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 2
Chemical Identifiers
Formula
C13H10N2O
IUPAC Name
2-phenyl-1H-indazol-3-one
Canonical SMILES
C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N2
InChI
InChI=1S/C13H10N2O/c16-13-11-8-4-5-9-12(11)14-15(13)10-6-2-1-3-7-10/h1-9,14H
InChIKey
CFNJFZDGHGYAMU-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
411519
ChEBI ID
CHEMBL1719803
CAS Number
17049-65-9
TTD ID
D0S0PB
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Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Arachidonate 5-lipoxygenase (5-LOX) TT2J34L LOX5_HUMAN Inhibitor [1]
Prostaglandin G/H synthase 1 (COX-1) TT8NGED PGH1_HUMAN Inhibitor [1]
Prostaglandin G/H synthase 2 (COX-2) TTVKILB PGH2_HUMAN Inhibitor [1]
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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
Prostaglandin G/H synthase 2 (COX-2) DTT PTGS2 7.93E-04 -0.29 -0.34
Prostaglandin G/H synthase 1 (COX-1) DTT PTGS1 3.97E-03 0.16 0.43
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References

1 Indazolinones, a new series of redox-active 5-lipoxygenase inhibitors with built-in selectivity and oral activity. J Med Chem. 1991 Mar;34(3):1028-36.