General Information of the Compound
Compound ID
CP0438614
Compound Name
(1-benzylbenzimidazol-2-yl)-(2-furfuryl)amine
    Show/Hide
Structure
Formula
C19H17N3O
Molecular Weight
303.365
Canonical SMILES
C(Nc1nc2ccccc2n1Cc1ccccc1)c1ccco1
    Show/Hide
InChI
InChI=1S/C19H17N3O/c1-2-7-15(8-3-1)14-22-18-11-5-4-10-17(18)21-19(22)20-13-16-9-6-12-23-16/h1-12H,13-14H2,(H,20,21)
    Show/Hide
InChIKey
OECUWHDVQIITIS-UHFFFAOYSA-N
Physicochemical Property
logP
4.2897
Rotatable Bonds
5
Heavy Atom Count
23
Polar Areas
42.99
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
23

"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: 667146
ChEMBL ID
CHEMBL1345058
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: PT06774, Short transient receptor potential channel 4
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 77200 nM
   TI
   LI
   LO
   TS
Protein ID: PT04622, Short transient receptor potential channel 5
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000460 Flp-In-T-REx-293 Homo sapiens (Human)  1
1
IC50 = 4060 nM
   TI
   LI
   LO
   TS
Protein ID: PT05452, Short transient receptor potential channel 5
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 64970 nM
   TI
   LI
   LO
   TS