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
Topological Polar Surface Area (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
CAS Number
17049-65-9
TTD ID
D0S0PB

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]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

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
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

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20 Differential metabolism of dihomo-gamma-linolenic acid and arachidonic acid by cyclo-oxygenase-1 and cyclo-oxygenase-2: implications for cellular synthesis of prostaglandin E1 and prostaglandin E2. Biochem J. 2002 Jul 15;365(Pt 2):489-96.
21 Maternal toxicity of nonsteroidal anti-inflammatory drugs as an important factor affecting prenatal development. Reprod Toxicol. 2009 Sep;28(2):239-44.
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23 Pfizer. Product Development Pipeline. March 31 2009.
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26 Flurbiprofen, a cyclooxygenase inhibitor, protects mice from hepatic ischemia/reperfusion injury by inhibiting GSK-3 signaling and mitochondrial permeability transition.Mol Med.2012 Sep 25;18:1128-35.