General Information of the Compound
Compound ID
CP0167329
Compound Name
2-phenyl-N-(pyridin-4-yl)quinazolin-4-amine
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Synonyms
2-phenyl-N-(pyridin-4-yl)quinazolin-4-amine
4-(4-Pyridvlamino)-2-Phenyl Quinazoline
4-(4-pyridylamino)-2-penyl quinazoline
4-(4-pyridylamino)-2-phenyl quinazoline
AC1O5DWY
AKOS002341780
AKOS003232028
BDBM50293513
CHEMBL564660
MCULE-2242877238
MolPort-002-121-406
QGWNGFYEPGNYNY-UHFFFAOYSA-N
SCHEMBL412953
STL388203
ZINC13633702
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Structure
Formula
C19H14N4
Molecular Weight
298.349
Canonical SMILES
N(c1ccncc1)c1nc(nc2ccccc12)-c1ccccc1
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InChI
InChI=1S/C19H14N4/c1-2-6-14(7-3-1)18-22-17-9-5-4-8-16(17)19(23-18)21-15-10-12-20-13-11-15/h1-13H,(H,20,21,22,23)
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InChIKey
QGWNGFYEPGNYNY-UHFFFAOYSA-N
Physicochemical Property
logP
4.4354
Rotatable Bonds
3
Heavy Atom Count
23
Polar Areas
50.7
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
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).

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PubChem ID
CID: 6456587
SID: 14800387
ChEMBL ID
CHEMBL564660
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 = 194 nM
   TI
   LI
   LO
   TS
CL000063 Hep-G2 Homo sapiens (Human)  1
1
IC50 = 2465 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( 2-phenyl-N-(pyridin-4-yl)quinazolin-4-amine )
Drug Name 2-phenyl-N-(pyridin-4-yl)quinazolin-4-amine
Target(s)
TGF-beta receptor type I (TGFBR1)
Inhibitor