General Information of the Compound
Compound ID
CP0144282
Compound Name
8-chloro-2-isopropyl-3-(3-(3-(methylsulfonyl)phenoxy)phenyl)imidazo[1,2-a]pyridine
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Structure
Formula
C23H21ClN2O3S
Molecular Weight
440.952
Canonical SMILES
CC(C)c1nc2c(Cl)cccn2c1-c1cccc(Oc2cccc(c2)S(C)(=O)=O)c1
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InChI
InChI=1S/C23H21ClN2O3S/c1-15(2)21-22(26-12-6-11-20(24)23(26)25-21)16-7-4-8-17(13-16)29-18-9-5-10-19(14-18)30(3,27)28/h4-15H,1-3H3
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InChIKey
NKFDLBSCCAQKKW-UHFFFAOYSA-N
Physicochemical Property
logP
5.9739
Rotatable Bonds
5
Heavy Atom Count
30
Polar Areas
60.67
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
5
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: 44136477
SID: 85092257
ChEMBL ID
CHEMBL603956
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: PT01555, Oxysterols receptor LXR-alpha
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000148 Huh-7 Homo sapiens (Human)  1
1
EC50 = 540 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 10 nM
Protein ID: PT01887, Oxysterols receptor LXR-beta
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000148 Huh-7 Homo sapiens (Human)  1
1
EC50 = 1660 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 304 nM