General Information of the Compound
Compound ID
CP0282725
Compound Name
4-amino-2,6-dimethyl-N-(6-methylpyridin-3-yl)quinazoline-8-carboxamide
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Structure
Formula
C17H17N5O
Molecular Weight
307.357
Canonical SMILES
Cc1cc(C(=O)Nc2ccc(C)nc2)c2nc(C)nc(N)c2c1
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InChI
InChI=1S/C17H17N5O/c1-9-6-13-15(20-11(3)21-16(13)18)14(7-9)17(23)22-12-5-4-10(2)19-8-12/h4-8H,1-3H3,(H,22,23)(H2,18,20,21)
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InChIKey
AAKOOCDMPALFJX-UHFFFAOYSA-N
Physicochemical Property
logP
2.78456
Rotatable Bonds
2
Heavy Atom Count
23
Polar Areas
93.79
Hydrogen Bond Donor Count
2
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).

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PubChem ID
CID: 53326214
ChEMBL ID
CHEMBL1668271
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: PT01045, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000457 BT-20 Homo sapiens (Human)  1
1
IC50 = 88 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 Ki = 0.5 nM