General Information of the Compound
| Compound ID |
CP0563463
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(4-aminopiperidin-1-yl)-[4-(3-isoquinolin-6-ylimidazo[1,2-b]pyridazin-6-yl)phenyl]methanone
Show/Hide
|
||||||||||||||||||
| Formula |
C27H24N6O
|
||||||||||||||||||
| Molecular Weight |
448.53
|
||||||||||||||||||
| Canonical SMILES |
NC1CCN(CC1)C(=O)c1ccc(cc1)-c1ccc2ncc(-c3ccc4cnccc4c3)n2n1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H24N6O/c28-23-10-13-32(14-11-23)27(34)19-3-1-18(2-4-19)24-7-8-26-30-17-25(33(26)31-24)21-5-6-22-16-29-12-9-20(22)15-21/h1-9,12,15-17,23H,10-11,13-14,28H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
DJPQIFRWWIYXCH-UHFFFAOYSA-N
|
||||||||||||||||||
| Physicochemical Property |
"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 | |||||||||||||||||||
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: PT02258, MAP kinase-interacting serine/threonine-protein kinase 1
Protein ID: PT01269, MAP kinase-interacting serine/threonine-protein kinase 2
Cell Viability or Cytotoxicity Assay
| Cell Line ID | Cell Line Name | Cell Line Organism | |
| CL000222 | TMD8 | Homo sapiens (Human) | 1 |
| 1 |
IC50 = 2085 nM
|
TI
LI
LO
TS
|
|
|---|---|---|---|