General Information of the Compound
Compound ID
CP0268795
Compound Name
3-(3-(8-chloro-2-isopropylimidazo[1,2-a]pyridin-3-yl)phenoxy)-N-(4-methoxybenzyl)-N-methylbenzenesulfonamide
    Show/Hide
Structure
Formula
C31H30ClN3O4S
Molecular Weight
576.118
Canonical SMILES
COc1ccc(CN(C)S(=O)(=O)c2cccc(Oc3cccc(c3)-c3c(nc4c(Cl)cccn34)C(C)C)c2)cc1
    Show/Hide
InChI
InChI=1S/C31H30ClN3O4S/c1-21(2)29-30(35-17-7-12-28(32)31(35)33-29)23-8-5-9-25(18-23)39-26-10-6-11-27(19-26)40(36,37)34(3)20-22-13-15-24(38-4)16-14-22/h5-19,21H,20H2,1-4H3
    Show/Hide
InChIKey
IAVNBGWOUPTSOV-UHFFFAOYSA-N
Physicochemical Property
logP
7.3997
Rotatable Bonds
9
Heavy Atom Count
40
Polar Areas
73.14
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
6
Complexity
40

"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: 44136075
SID: 85091870
ChEMBL ID
CHEMBL595915
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 = 890 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 24 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 = 930 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 71 nM