General Information of the Compound
Compound ID
CP0171811
Compound Name
(phenidone)1-Phenyl-pyrazolidin-3-one
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Synonyms
1-P-3-P
1-PHENYL-3-PYRAZOLIDINONE
1-Phenyl-3-oxopyrazolidine
1-Phenyl-3-pyrazolidone
1-Phenyl-pyrazolidin-3-one
1-Phenylpyrazolid-3-one
1-phenyl-4,5-dihydro-1H-pyrazol-3-ol
1-phenylpyrazolidin-3-one
2-Pyrazolin-3-ol, 1-phenyl-
3-Pyrazolidinone, 1-phenyl-
3-Pyrazolidinone,1-phenyl-
92-43-3
CCRIS 3624
CHEMBL7660
CMCWWLVWPDLCRM-UHFFFAOYSA-N
EINECS 202-155-1
Fenidon
H0U5612P6K
MFCD00003094
MLS002639322
NSC 30306
PHENIDONE
Phenidone
Phenidone A (1-Phenyl-3-pyrazolidinone)
Pyrazolidinone, 1-phenyl-
UNII-H0U5612P6K
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Structure
Formula
C9H10N2O
Molecular Weight
162.192
Canonical SMILES
O=C1CCN(N1)c1ccccc1
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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)
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InChIKey
CMCWWLVWPDLCRM-UHFFFAOYSA-N
CAS
92-43-3
4072-30-4
Physicochemical Property
logP
0.9279
Rotatable Bonds
1
Heavy Atom Count
12
Polar Areas
32.34
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Complexity
12

"RO5" indicates the cutoff set by lipinski's rule of five:

(1) Molecular weight less than 500 Dalton;

(2) xlogp less than 5;

(3) No more than 5 hbonddonor (Hydrogen Bond Donor Count);

(4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count);

(5) No more than 10 rotbonds (Rotatable Bond Count).

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PubChem ID
CID: 7090
SID: 14772461
ChEMBL ID
CHEMBL7660
Map of Molecular Bioactivity Related to the Compound
Map of Molecular Bioactivity Related to the Compound

Compound
Cell Line
Protein

Bioactivity Value:

<= 0.1 μM
> 0.1 μM and <= 10 μM
> 10 μM
Imprecise Activity
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT01743, Polyunsaturated fatty acid 5-lipoxygenase
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000194 RBL-1 Rattus norvegicus (Rat)  6
1
IC50 = 480 nM
   TI
   LI
   LO
   TS
2
IC50 = 570 nM
   TI
   LI
   LO
   TS
3
IC50 = 1000 nM
   TI
   LI
   LO
   TS
4
IC50 = 1900 nM
   TI
   LI
   LO
   TS
5
IC50 = 2100 nM
   TI
   LI
   LO
   TS
6
IC50 = 5900 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 520 nM
Clinical Information about the Compound
Drug 1 ( PHENIDONE )
Drug Name PHENIDONE
Target(s)
Prostaglandin G/H synthase 1 (COX-1)
Inhibitor
Prostaglandin G/H synthase 2 (COX-2)
Inhibitor
Arachidonate 5-lipoxygenase (5-LOX)
Inhibitor