General Information of the Compound
Compound ID
CP0305101
Compound Name
(6-chloroimidazo[1,2-a]pyridin-2-yl)-(4-methylpiperazin-1-yl)methanone
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Structure
Formula
C13H15ClN4O
Molecular Weight
278.743
Canonical SMILES
CN1CCN(CC1)C(=O)c1cn2cc(Cl)ccc2n1
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InChI
InChI=1S/C13H15ClN4O/c1-16-4-6-17(7-5-16)13(19)11-9-18-8-10(14)2-3-12(18)15-11/h2-3,8-9H,4-7H2,1H3
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InChIKey
UFRYSXRFJRIRAF-UHFFFAOYSA-N
Physicochemical Property
logP
1.3753
Rotatable Bonds
1
Heavy Atom Count
19
Polar Areas
40.85
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Complexity
19

"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: 57402928
ChEMBL ID
CHEMBL1938842
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: PT01711, Histamine H4 receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
Ki = 3170 nM
   TI
   LI
   LO
   TS
CL000006 HEK293 Homo sapiens (Human)  1
1
Ki > 11400 nM
   TI
   LI
   LO
   TS