General Information of the Compound
Compound ID
CP0074363
Compound Name
N-[6-(6-amino-5-ethoxypyridin-3-yl)imidazo[1,2-b]pyridazin-2-yl]acetamide
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Structure
Formula
C15H16N6O2
Molecular Weight
312.333
Canonical SMILES
CCOc1cc(cnc1N)-c1ccc2nc(NC(C)=O)cn2n1
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InChI
InChI=1S/C15H16N6O2/c1-3-23-12-6-10(7-17-15(12)16)11-4-5-14-19-13(18-9(2)22)8-21(14)20-11/h4-8H,3H2,1-2H3,(H2,16,17)(H,18,22)
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InChIKey
BOKSTHOMWGGGSJ-UHFFFAOYSA-N
Physicochemical Property
logP
1.7306
Rotatable Bonds
4
Heavy Atom Count
23
Polar Areas
107.43
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
7
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: 59251850
ChEMBL ID
CHEMBL3754572
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
CL000072 A2780 Homo sapiens (Human)  1
1
EC50 < 40 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 11 nM
Cell Viability or Cytotoxicity Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000072 A2780 Homo sapiens (Human)  1
1
EC50 = 1200 nM
   TI
   LI
   LO
   TS