General Information of the Compound
Compound ID
CP0389620
Compound Name
3-amino-5-chloro-N-cyclopropyl-6-methoxy-4-methylthieno[2,3-b]pyridine-2-carboxamide
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Synonyms
LY 2033298
LY-2033298
LY2033298
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Structure
Formula
C13H14ClN3O2S
Molecular Weight
311.794
Canonical SMILES
COc1nc2sc(C(=O)NC3CC3)c(N)c2c(C)c1Cl
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InChI
InChI=1S/C13H14ClN3O2S/c1-5-7-9(15)10(11(18)16-6-3-4-6)20-13(7)17-12(19-2)8(5)14/h6H,3-4,15H2,1-2H3,(H,16,18)
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InChIKey
CTEGQKDJTBWFHW-UHFFFAOYSA-N
Physicochemical Property
logP
2.74112
Rotatable Bonds
3
Heavy Atom Count
20
Polar Areas
77.24
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
5
Complexity
20

"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: 11536903
SID: 16638992
ChEMBL ID
CHEMBL3770346
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 = 225 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( LY2033298 )
Drug Name LY2033298