General Information of the Compound
Compound ID
CP0017299
Compound Name
4-(3-Chloro-phenyl)-5-[1,5]naphthyridin-2-yl-thiazol-2-ylamine
    Show/Hide
Structure
Formula
C17H11ClN4S
Molecular Weight
338.823
Canonical SMILES
Nc1nc(c(s1)-c1ccc2ncccc2n1)-c1cccc(Cl)c1
    Show/Hide
InChI
InChI=1S/C17H11ClN4S/c18-11-4-1-3-10(9-11)15-16(23-17(19)22-15)14-7-6-12-13(21-14)5-2-8-20-12/h1-9H,(H2,19,22)
    Show/Hide
InChIKey
JVXFJMXCRSAZFH-UHFFFAOYSA-N
Physicochemical Property
logP
4.6559
Rotatable Bonds
2
Heavy Atom Count
23
Polar Areas
64.69
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Complexity
23

"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: 11473228
SID: 16573906
ChEMBL ID
CHEMBL365663
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
CL000063 Hep-G2 Homo sapiens (Human)  1
1
IC50 = 10 nM
   TI
   LI
   LO
   TS
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 10 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 13 nM
2 IC50 = 20 nM