General Information of the Compound
Compound ID
CP0015520
Compound Name
4-[3-(pyridin-2-yl)-1H-pyrazol-4-yl]quinoline
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Synonyms
396129-53-6
4-(3-(pyridin-2-yl)-1H-pyrazol-4-yl)quinoline
4-(3-PYRIDIN-2-YL-1H-PYRAZOL-4-YL)QUINOLINE
4-(3-Pyridin-2-YL-1H-pyrazol-4-YL)quinoline
4-(3-Pyridin-2-Yl-1h-Pyrazol-4-Yl)Quinoline
4-(3-pyridin-2-yl)(1h)-pyrazol-4-yl quinoline
4-[3-(2-Pyridinyl)-1H-pyrazol-4-yl]quinoline
4-[3-(pyridin-2-yl)-1H-pyrazol-4-yl]quinoline
ALK5 Inhibitor I
CHEMBL261454
HTS-466284
LY 364947
LY-364947
LY364947
TGF-beta RI Kinase Inhibitor
TbetaR-I Inhibitor
Transforming Growth Factor-beta Type I Receptor Kinase Inhibitor
[3-(Pyridin-2-yl)-4-(4-quinonyl)]-1H-pyrazole
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Structure
Formula
C17H12N4
Molecular Weight
272.311
Canonical SMILES
c1[nH]nc(c1-c1ccnc2ccccc12)-c1ccccn1
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InChI
InChI=1S/C17H12N4/c1-2-6-15-13(5-1)12(8-10-19-15)14-11-20-21-17(14)16-7-3-4-9-18-16/h1-11H,(H,20,21)
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InChIKey
IBCXZJCWDGCXQT-UHFFFAOYSA-N
Physicochemical Property
logP
3.6869
Rotatable Bonds
2
Heavy Atom Count
21
Polar Areas
54.46
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
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).

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PubChem ID
CID: 447966
SID: 14848440
ChEMBL ID
CHEMBL261454
DrugBank ID
DB03921
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
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000271 Mv1Lu
 Cell Line Info 
Neovison vison (American mink)  2
1
IC50 = 40 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
2
IC50 = 47 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
CL000013 Sf9
 Cell Line Info 
Spodoptera frugiperda (Fall armyworm)  2
1
IC50 = 51 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
2
IC50 = 59 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 27 nM
2 IC50 = 40 nM
3 IC50 = 51 nM
4 IC50 = 27000 nM
5 Kd = 5 nM
Protein ID: PT01867, TGF-beta receptor type-2
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9
 Cell Line Info 
Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 400 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( HTS-466284 )
Drug Name HTS-466284
Target(s)
TGF-beta receptor type I (TGFBR1)
 Target Info 
Inhibitor