General Information of the Compound
Compound ID
CP0860837
Compound Name
2-(4-nitrophenyl)-6-phenyl-3-(piperazin-1-ylmethyl)imidazo[1,2-a]pyridine
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Synonyms
Imidazo [1,2-a]pyridine compound 1
PMID26882240-Compound-18
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Structure
Formula
C24H23N5O2
Molecular Weight
413.481
Canonical SMILES
O=[N+]([O-])c1ccc(-c2nc3ccc(-c4ccccc4)cn3c2CN2CCNCC2)cc1
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InChI
InChI=1S/C24H23N5O2/c30-29(31)21-9-6-19(7-10-21)24-22(17-27-14-12-25-13-15-27)28-16-20(8-11-23(28)26-24)18-4-2-1-3-5-18/h1-11,16,25H,12-15,17H2
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InChIKey
VFRSRPDPDQUSDK-UHFFFAOYSA-N
Physicochemical Property
logP
3.9817
Rotatable Bonds
5
Heavy Atom Count
31
Polar Areas
75.71
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
6
Complexity
31

"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: 60203900
SID: 144223187
ChEMBL ID
CHEMBL4291247
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 = 100000 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( Imidazo [1,2-a]pyridine compound 1 )
Drug Name Imidazo [1,2-a]pyridine compound 1
Company ELARA PHARMACEUTICALS GMBH [DE]