General Information of the Compound
Compound ID
CP0554525
Compound Name
N-(imidazo[1,2-a]pyridin-6-ylmethyl)-N-methyl-5-[3-methyl-5-(1,3,5-trimethylpyrazol-4-yl)pyridin-2-yl]-1,3,4-oxadiazol-2-amine
    Show/Hide
Formula
C23H24N8O
Molecular Weight
428.5
Canonical SMILES
CN(Cc1ccc2nccn2c1)c1nnc(o1)-c1ncc(cc1C)-c1c(C)nn(C)c1C
    Show/Hide
InChI
InChI=1S/C23H24N8O/c1-14-10-18(20-15(2)28-30(5)16(20)3)11-25-21(14)22-26-27-23(32-22)29(4)12-17-6-7-19-24-8-9-31(19)13-17/h6-11,13H,12H2,1-5H3
    Show/Hide
InChIKey
SNSHWVBULOTYEY-UHFFFAOYSA-N
Physicochemical Property
logP
3.74146
Rotatable Bonds
5
Heavy Atom Count
32
Polar Areas
90.17
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
9
Complexity
32

"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).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
ChEMBL ID
CHEMBL4852284
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: PT01204, Receptor-type tyrosine-protein kinase FLT3
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000053 COS-7 Chlorocebus aethiops (Green monkey)  1
1
IC50 > 31622.78 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 19952.62 nM
Protein ID: PT01661, Tyrosine-protein kinase receptor TYRO3
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000053 COS-7 Chlorocebus aethiops (Green monkey)  1
1
IC50 > 31622.78 nM
   TI
   LI
   LO
   TS
Protein ID: PT01128, Tyrosine-protein kinase receptor UFO
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000053 COS-7 Chlorocebus aethiops (Green monkey)  1
1
IC50 = 6309.57 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 1000 nM