General Information of the Compound
Compound ID
CP0544633
Compound Name
(3-amino-4,6-dimethylthieno[2,3-b]pyridin-2-yl)-pyridin-4-ylmethanol
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Structure
Formula
C15H15N3OS
Molecular Weight
285.372
Canonical SMILES
Cc1cc(C)c2c(N)c(sc2n1)C(O)c1ccncc1
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InChI
InChI=1S/C15H15N3OS/c1-8-7-9(2)18-15-11(8)12(16)14(20-15)13(19)10-3-5-17-6-4-10/h3-7,13,19H,16H2,1-2H3
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InChIKey
NBKYNQXJQOYCAD-UHFFFAOYSA-N
Physicochemical Property
logP
2.97204
Rotatable Bonds
2
Heavy Atom Count
20
Polar Areas
72.03
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: 155550854
ChEMBL ID
CHEMBL4549412
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 > 10000 nM
   TI
   LI
   LO
   TS
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 > 10000 nM
   TI
   LI
   LO
   TS