Details of the Drug

General Information of Drug (ID: DMJD8XN)

Drug Name
PHENIDONE
Synonyms
Phenidone; 92-43-3; 1-phenylpyrazolidin-3-one; 1-Phenyl-3-pyrazolidone; 1-PHENYL-3-PYRAZOLIDINONE; Fenidon; 3-Pyrazolidinone, 1-phenyl-; 1-Phenyl-3-oxopyrazolidine; 2-Pyrazolin-3-ol, 1-phenyl-; 1-P-3-P; Pyrazolidinone, 1-phenyl-; 1-Phenyl-pyrazolidin-3-one; UNII-H0U5612P6K; CCRIS 3624; 1-Phenylpyrazolid-3-one; EINECS 202-155-1; NSC 30306; 3-Pyrazolidinone,1-phenyl-; CHEMBL7660; 1-phenyl-4,5-dihydro-1H-pyrazol-3-ol; MLS002639322; CMCWWLVWPDLCRM-UHFFFAOYSA-N; H0U5612P6K; MFCD00003094; Phenidone A (1-Phenyl-3-pyrazolidinone)
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) 162.19
Logarithm of the Partition Coefficient (xlogp) 0.9
Rotatable Bond Count (rotbonds) 1
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 2
Chemical Identifiers
Formula
C9H10N2O
IUPAC Name
1-phenylpyrazolidin-3-one
Canonical SMILES
C1CN(NC1=O)C2=CC=CC=C2
InChI
InChI=1S/C9H10N2O/c12-9-6-7-11(10-9)8-4-2-1-3-5-8/h1-5H,6-7H2,(H,10,12)
InChIKey
CMCWWLVWPDLCRM-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
7090
ChEBI ID
CHEMBL7660
CAS Number
92-43-3
TTD ID
D0P1LP
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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 [2]
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
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

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.
2 Cylindol A, a novel biphenyl ether with 5-lipoxygenase inhibitory activity, and a related compound from Imperata Cylindrica. J Nat Prod. 1994 Sep;57(9):1290-3.