General Information of the Compound
Compound ID
CP0415226
Compound Name
3-amino-N-isopropyl-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide
    Show/Hide
Structure
Formula
C13H17N3OS
Molecular Weight
263.366
Canonical SMILES
CC(C)NC(=O)c1sc2nc(C)cc(C)c2c1N
    Show/Hide
InChI
InChI=1S/C13H17N3OS/c1-6(2)15-12(17)11-10(14)9-7(3)5-8(4)16-13(9)18-11/h5-6H,14H2,1-4H3,(H,15,17)
    Show/Hide
InChIKey
ZFSLBQWSGJCDLL-UHFFFAOYSA-N
Physicochemical Property
logP
2.63354
Rotatable Bonds
2
Heavy Atom Count
18
Polar Areas
68.01
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Complexity
18

"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: 973723
ChEMBL ID
CHEMBL1212982
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: PT01736, 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 = 6000 nM
   TI
   LI
   LO
   TS