General Information of the Compound
Compound ID
CP0274224
Compound Name
1-((2-chlorophenyl)diphenylmethyl)-1H-pyrazole
    Show/Hide
Synonyms
1-((2-Chlorophenyl)diphenylmethyl)-1H-pyrazole
1-((2-chlorophenyl)diphenylmethyl)-1H-pyrazole
1-(2-Chlorophenyl)diphenyl)methyl]-1H-pyrazole
1-[(2-Chlorophenyl)diphenylmethyl]-1H-pyrazole
1-[(2-chlorophenyl)-diphenylmethyl]pyrazole
289905-88-0
AC1LCVHZ
ACN-048484
AKOS005146304
ANW-72309
API0000868
BCP01324
BDBM50279107
CHEBI:34990
CHEMBL498270
CS-1921
CTK0J1643
DS-2617
DTXSID70349650
EX-A2316
GTPL2336
KS-00000OJW
MFCD09842562
MP-2041
MolPort-003-850-592
NCGC00165909-02
NCGC00165909-03
SCHEMBL41130
SureCN41130
TRAM-34
TRAM34
Tram 34
ZINC3975392
s1160
    Show/Hide
Structure
Formula
C22H17ClN2
Molecular Weight
344.845
Canonical SMILES
Clc1ccccc1C(c1ccccc1)(c1ccccc1)n1cccn1
    Show/Hide
InChI
InChI=1S/C22H17ClN2/c23-21-15-8-7-14-20(21)22(25-17-9-16-24-25,18-10-3-1-4-11-18)19-12-5-2-6-13-19/h1-17H
    Show/Hide
InChIKey
KBFUQFVFYYBHBT-UHFFFAOYSA-N
Physicochemical Property
logP
5.3767
Rotatable Bonds
4
Heavy Atom Count
25
Polar Areas
17.82
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
2
Complexity
25

"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).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 656734
SID: 14925089
ChEMBL ID
CHEMBL498270
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: PT00984, Intermediate conductance calcium-activated potassium channel protein 4
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000053 COS-7
 Cell Line Info 
Chlorocebus aethiops (Green monkey)  1
1
IC50 = 20 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 20 nM
Cell Viability or Cytotoxicity Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000150 HaCaT
 Cell Line Info 
Homo sapiens (Human)  1
1
EC50 = 40000 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( 1-((2-chlorophenyl)diphenylmethyl)-1H-pyrazole )
Drug Name 1-((2-chlorophenyl)diphenylmethyl)-1H-pyrazole
Indication
Conjunctival fibrosis
Investigative
Target(s)
Calcium-activated potassium channel KCa3.1 (KCNN4)
 Target Info 
Blocker (channel blocker)