General Information of the Compound
Compound ID
CP0436627
Compound Name
N-benzyl-6-methyl-2-(4-phenylphenyl)imidazo[1,2-a]pyridin-3-amine
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Structure
Formula
C27H23N3
Molecular Weight
389.502
Canonical SMILES
Cc1ccc2nc(c(NCc3ccccc3)n2c1)-c1ccc(cc1)-c1ccccc1
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InChI
InChI=1S/C27H23N3/c1-20-12-17-25-29-26(24-15-13-23(14-16-24)22-10-6-3-7-11-22)27(30(25)19-20)28-18-21-8-4-2-5-9-21/h2-17,19,28H,18H2,1H3
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InChIKey
QLKZEMIJEMCSKR-UHFFFAOYSA-N
Physicochemical Property
logP
6.58882
Rotatable Bonds
5
Heavy Atom Count
30
Polar Areas
29.33
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
30

"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: 137656530
ChEMBL ID
CHEMBL4105108
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: PT01286, Bile acid receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000017 HeLa Homo sapiens (Human)  1
1
EC50 = 81 nM
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