General Information of the Compound
Compound ID
CP0473135
Compound Name
N-[1-(2,5-dichloropyridin-4-yl)azetidin-3-yl]-2,3-dimethylimidazo[1,2-a]pyrazine-6-carboxamide
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Structure
Formula
C17H16Cl2N6O
Molecular Weight
391.262
Canonical SMILES
Cc1nc2cnc(cn2c1C)C(=O)NC1CN(C1)c1cc(Cl)ncc1Cl
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InChI
InChI=1S/C17H16Cl2N6O/c1-9-10(2)25-8-13(20-5-16(25)22-9)17(26)23-11-6-24(7-11)14-3-15(19)21-4-12(14)18/h3-5,8,11H,6-7H2,1-2H3,(H,23,26)
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InChIKey
CKORZEDWJBEKIZ-UHFFFAOYSA-N
Physicochemical Property
logP
2.66654
Rotatable Bonds
3
Heavy Atom Count
26
Polar Areas
75.42
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
6
Complexity
26

"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: 156022087
ChEMBL ID
CHEMBL4649459
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: PT01156, Muscarinic acetylcholine receptor M4
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
EC50 = 132 nM
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