General Information of the Compound
Compound ID
CP0853926
Compound Name
1-(4-((2-(4-chlorophenyl)-6-(pyrrolidin-1-ylsulfonyl)imidazo[1,2-a]pyridin-3-yl)methyl)piperazin-1-yl)ethanone
    Show/Hide
Structure
Formula
C24H28ClN5O3S
Molecular Weight
502.04
Canonical SMILES
CC(=O)N1CCN(Cc2c(-c3ccc(Cl)cc3)nc3ccc(S(=O)(=O)N4CCCC4)cn23)CC1
    Show/Hide
InChI
InChI=1S/C24H28ClN5O3S/c1-18(31)28-14-12-27(13-15-28)17-22-24(19-4-6-20(25)7-5-19)26-23-9-8-21(16-30(22)23)34(32,33)29-10-2-3-11-29/h4-9,16H,2-3,10-15,17H2,1H3
    Show/Hide
InChIKey
XILILORCINPJLW-UHFFFAOYSA-N
Physicochemical Property
logP
3.1033
Rotatable Bonds
5
Heavy Atom Count
34
Polar Areas
78.23
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
6
Complexity
34

"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: 121309918
ChEMBL ID
CHEMBL4284185
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: PT04657, Solute carrier family 2, facilitated glucose transporter member 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 <= 1000 nM
   TI
   LI
   LO
   TS
Protein ID: PT06319, Solute carrier family 2, facilitated glucose transporter member 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 10000 nM
   TI
   LI
   LO
   TS