General Information of the Compound
Compound ID
CP0456806
Compound Name
3-[4-(4-Fluoro-phenoxy)-phenyl]-1H-pyrazole
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Synonyms
3-(4-(4-Fluorophenoxy)phenyl)-1H-pyrazole
3-[4-(4-Fluoro-phenoxy)-phenyl]-1H-pyrazole
3-[4-(4-Fluorophenoxy)phenyl]-1H-pyrazole
BDBM50141066
CGMPMLHCCFCLQL-UHFFFAOYSA-N
CHEMBL38031
CTK7C0984
SCHEMBL1385301
ZINC13559818
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Structure
Formula
C15H11FN2O
Molecular Weight
254.264
Canonical SMILES
Fc1ccc(Oc2ccc(cc2)-c2cc[nH]n2)cc1
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InChI
InChI=1S/C15H11FN2O/c16-12-3-7-14(8-4-12)19-13-5-1-11(2-6-13)15-9-10-17-18-15/h1-10H,(H,17,18)
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InChIKey
CGMPMLHCCFCLQL-UHFFFAOYSA-N
Physicochemical Property
logP
4.0081
Rotatable Bonds
3
Heavy Atom Count
19
Polar Areas
37.91
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Complexity
19

"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: 9816478
SID: 14774439
ChEMBL ID
CHEMBL38031
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: PT03043, Sodium channel protein type 4 subunit alpha
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293
 Cell Line Info 
Homo sapiens (Human)  1
1
Ki = 200 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( 3-[4-(4-Fluoro-phenoxy)-phenyl]-1H-pyrazole )
Drug Name 3-[4-(4-Fluoro-phenoxy)-phenyl]-1H-pyrazole
Target(s)
Voltage-gated sodium channel alpha Nav1.4 (SCN4A)
 Target Info 
Inhibitor