General Information of the Compound
Compound ID
CP0256271
Compound Name
4-Pyridin-2-yl-5-quinolin-2-yl-thiazol-2-ylamine
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Synonyms
4-Pyridin-2-yl-5-quinolin-2-yl-thiazol-2-ylamine
CHEMBL186966
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Structure
Formula
C17H12N4S
Molecular Weight
304.378
Canonical SMILES
Nc1nc(c(s1)-c1ccc2ccccc2n1)-c1ccccn1
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InChI
InChI=1S/C17H12N4S/c18-17-21-15(13-7-3-4-10-19-13)16(22-17)14-9-8-11-5-1-2-6-12(11)20-14/h1-10H,(H2,18,21)
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InChIKey
XYMCAGVJYOESBU-UHFFFAOYSA-N
Physicochemical Property
logP
4.0025
Rotatable Bonds
2
Heavy Atom Count
22
Polar Areas
64.69
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
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).

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PubChem ID
CID: 11403950
SID: 16499445
ChEMBL ID
CHEMBL186966
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 > 10000 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 3540 nM
Clinical Information about the Compound
Drug 1 ( 4-Pyridin-2-yl-5-quinolin-2-yl-thiazol-2-ylamine )
Drug Name 4-Pyridin-2-yl-5-quinolin-2-yl-thiazol-2-ylamine
Target(s)
TGF-beta receptor type I (TGFBR1)
Inhibitor