General Information of the Compound
Compound ID
CP0378905
Compound Name
N-benzyl-6-methyl-2-(4-methyl-1,3-thiazol-2-yl)imidazo[1,2-a]pyridin-3-amine
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Structure
Formula
C19H18N4S
Molecular Weight
334.448
Canonical SMILES
Cc1csc(n1)-c1nc2ccc(C)cn2c1NCc1ccccc1
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InChI
InChI=1S/C19H18N4S/c1-13-8-9-16-22-17(19-21-14(2)12-24-19)18(23(16)11-13)20-10-15-6-4-3-5-7-15/h3-9,11-12,20H,10H2,1-2H3
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InChIKey
FELSIICFBQMEIA-UHFFFAOYSA-N
Physicochemical Property
logP
4.68674
Rotatable Bonds
4
Heavy Atom Count
24
Polar Areas
42.22
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Complexity
24

"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: 137651449
ChEMBL ID
CHEMBL4077209
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 = 220 nM
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