General Information of the Compound
Compound ID
CP0365576
Compound Name
N-[1-(2,5-dichloropyridin-4-yl)azetidin-3-yl]-2,3-dimethylpyrazolo[3,4-c]pyridine-5-carboxamide
    Show/Hide
Structure
Formula
C17H16Cl2N6O
Molecular Weight
391.262
Canonical SMILES
Cc1n(C)nc2cnc(cc12)C(=O)NC1CN(C1)c1cc(Cl)ncc1Cl
    Show/Hide
InChI
InChI=1S/C17H16Cl2N6O/c1-9-11-3-13(20-6-14(11)23-24(9)2)17(26)22-10-7-25(8-10)15-4-16(19)21-5-12(15)18/h3-6,10H,7-8H2,1-2H3,(H,22,26)
    Show/Hide
InChIKey
URHFMNPDRLENOM-UHFFFAOYSA-N
Physicochemical Property
logP
2.59712
Rotatable Bonds
3
Heavy Atom Count
26
Polar Areas
75.94
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).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 156014638
ChEMBL ID
CHEMBL4635575
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 = 370 nM
   TI
   LI
   LO
   TS