General Information of the Compound
Compound ID
CP0276946
Compound Name
2-(3-(pyridin-2-yl)-1H-pyrazol-4-yl)-1,5-naphthyridine
    Show/Hide
Structure
Formula
C16H11N5
Molecular Weight
273.299
Canonical SMILES
c1[nH]nc(c1-c1ccc2ncccc2n1)-c1ccccn1
    Show/Hide
InChI
InChI=1S/C16H11N5/c1-2-8-18-15(4-1)16-11(10-19-21-16)12-6-7-13-14(20-12)5-3-9-17-13/h1-10H,(H,19,21)
    Show/Hide
InChIKey
QDSPBHAERPGZFL-UHFFFAOYSA-N
Physicochemical Property
logP
3.0819
Rotatable Bonds
2
Heavy Atom Count
21
Polar Areas
67.35
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
21

"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: 9925495
SID: 14897294
ChEMBL ID
CHEMBL183354
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 = 10 nM
   TI
   LI
   LO
   TS
CL000063 Hep-G2 Homo sapiens (Human)  1
1
IC50 = 50 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 19 nM
2 IC50 = 30 nM