General Information of the Compound
Compound ID
CP0437415
Compound Name
N-cyclopropyl-4-[8-(2-methylpropylamino)-6-phenylimidazo[1,2-b]pyridazin-3-yl]benzamide
    Show/Hide
Structure
Formula
C26H27N5O
Molecular Weight
425.536
Canonical SMILES
CC(C)CNc1cc(nn2c(cnc12)-c1ccc(cc1)C(=O)NC1CC1)-c1ccccc1
    Show/Hide
InChI
InChI=1S/C26H27N5O/c1-17(2)15-27-23-14-22(18-6-4-3-5-7-18)30-31-24(16-28-25(23)31)19-8-10-20(11-9-19)26(32)29-21-12-13-21/h3-11,14,16-17,21,27H,12-13,15H2,1-2H3,(H,29,32)
    Show/Hide
InChIKey
JNEMDWFZGLISII-UHFFFAOYSA-N
Physicochemical Property
logP
5.0234
Rotatable Bonds
7
Heavy Atom Count
32
Polar Areas
71.32
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
5
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
PubChem ID
CID: 68090376
ChEMBL ID
CHEMBL4635532
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: PT01348, Dual specificity protein kinase TTK
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000017 HeLa Homo sapiens (Human)  1
1
IC50 = 613 nM
   TI
   LI
   LO
   TS
Cell Viability or Cytotoxicity Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000017 HeLa Homo sapiens (Human)  1
1
IC50 = 1550 nM
   TI
   LI
   LO
   TS