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]
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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
CAS Number: 92-43-3
TTD ID: D0P1LP

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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Drug Off-Target (DOT)

DOT Name	DOT ID	UniProt ID	Interaction	REF
NAD(P)H dehydrogenase 1 (NQO1)	OTZGGIVK	NQO1_HUMAN	Gene/Protein Processing	[3]

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Molecular Interaction Atlas (MIA)

MIA Detail

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)

MEA Detail

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.
3	NRH:quinone oxidoreductase2 (NQO2). Chem Biol Interact. 2000 Dec 1;129(1-2):99-112.