General Information of the Compound
Compound ID
CP0187224
Compound Name
JNJ-39439335
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Synonyms
956274-94-5
AKOS030527038
B5930
BC600772
BCP23936
BDBM50086717
CHEMBL2364618
CS-4591
D10370
DB12875
DTXSID90241905
EX-A2266
F197218T99
HY-16935
J3.561.747G
JNJ 39439335
JNJ-39439335
Mavatrep
Mavatrep (USAN)
Mavatrep [USAN:INN]
Mavatrep(JNJ-39439335)
SB17026
SCHEMBL1796599
SCHEMBL1797450
UNII-F197218T99
ZINC43175494
trans-2-(2-(2-(2-(4-Trifluoromethylphenyl)vinyl)-1H-benzimidazol-5-yl)phenyl)propan-2-ol
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Structure
Formula
C25H21F3N2O
Molecular Weight
422.45
Canonical SMILES
CC(C)(O)c1ccccc1-c1ccc2[nH]c(\C=C\c3ccc(cc3)C(F)(F)F)nc2c1
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InChI
InChI=1S/C25H21F3N2O/c1-24(2,31)20-6-4-3-5-19(20)17-10-13-21-22(15-17)30-23(29-21)14-9-16-7-11-18(12-8-16)25(26,27)28/h3-15,31H,1-2H3,(H,29,30)/b14-9+
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InChIKey
ORDHXXHTBUZRCN-NTEUORMPSA-N
CAS
956274-94-5
Physicochemical Property
logP
6.6465
Rotatable Bonds
4
Heavy Atom Count
31
Polar Areas
48.91
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Complexity
31

"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: 17751090
SID: 29204727
ChEMBL ID
CHEMBL2364618
DrugBank ID
DB12875
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: PT02183, Transient receptor potential cation channel subfamily V member 1
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293
 Cell Line Info 
Homo sapiens (Human)  4
1
IC50 = 4.6 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
2
IC50 = 6.8 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
3
IC50 = 23 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
4
Ki = 6.5 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Protein ID: PT01914, Transient receptor potential cation channel subfamily V member 1
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293
 Cell Line Info 
Homo sapiens (Human)  1
1
IC50 = 21 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( JNJ-39439335 )
Drug Name JNJ-39439335
Company Johnson & Johnson Pharmaceutical Research & Development
Indication
Musculoskeletal pain
Phase 1
Target(s)
Transient receptor potential cation channel V1 (TRPV1)
 Target Info 
Antagonist