General Information of the Compound
Compound ID
CP0273632
Compound Name
3-amino-4-piperidin-1-ylthieno[2,3-b]pyridine-2-carboxamide
    Show/Hide
Structure
Formula
C13H16N4OS
Molecular Weight
276.365
Canonical SMILES
NC(=O)c1sc2nccc(N3CCCCC3)c2c1N
    Show/Hide
InChI
InChI=1S/C13H16N4OS/c14-10-9-8(17-6-2-1-3-7-17)4-5-16-13(9)19-11(10)12(15)18/h4-5H,1-3,6-7,14H2,(H2,15,18)
    Show/Hide
InChIKey
YRZKCGCJNBZWMF-UHFFFAOYSA-N
Physicochemical Property
logP
1.9677
Rotatable Bonds
2
Heavy Atom Count
19
Polar Areas
85.24
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
5
Complexity
19

"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: 11778213
SID: 16887964
ChEMBL ID
CHEMBL2348334
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: PT01975, Cyclin-dependent kinase 8
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 130 nM
   TI
   LI
   LO
   TS