General Information of the Compound
Compound ID
CP0026932
Compound Name
5-(1,5-naphthyridin-2-yl)-4-(pyridin-2-yl)thiazol-2-amine
    Show/Hide
Structure
Formula
C16H11N5S
Molecular Weight
305.366
Canonical SMILES
Nc1nc(c(s1)-c1ccc2ncccc2n1)-c1ccccn1
    Show/Hide
InChI
InChI=1S/C16H11N5S/c17-16-21-14(12-4-1-2-8-19-12)15(22-16)13-7-6-10-11(20-13)5-3-9-18-10/h1-9H,(H2,17,21)
    Show/Hide
InChIKey
NQQBKOGAKSBCSI-UHFFFAOYSA-N
Physicochemical Property
logP
3.3975
Rotatable Bonds
2
Heavy Atom Count
22
Polar Areas
77.58
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
6
Complexity
22

"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: 9922527
SID: 14894182
ChEMBL ID
CHEMBL181361
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: PT01221, TGF-beta receptor type-1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 20 nM
   TI
   LI
   LO
   TS
CL000063 Hep-G2 Homo sapiens (Human)  1
1
IC50 = 120 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 20 nM
2 IC50 = 40 nM