General Information of the Compound
| Compound ID |
CP0389476
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[4-[5-(3-acetamidophenyl)-2-(2-aminopyridin-3-yl)imidazo[4,5-b]pyridin-3-yl]phenyl]-N-phenylacetamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C33H27N7O2
|
||||||||||||||||||
| Molecular Weight |
553.626
|
||||||||||||||||||
| Canonical SMILES |
CC(=O)Nc1cccc(c1)-c1ccc2nc(-c3cccnc3N)n(-c3ccc(CC(=O)Nc4ccccc4)cc3)c2n1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C33H27N7O2/c1-21(41)36-25-10-5-7-23(20-25)28-16-17-29-33(38-28)40(32(39-29)27-11-6-18-35-31(27)34)26-14-12-22(13-15-26)19-30(42)37-24-8-3-2-4-9-24/h2-18,20H,19H2,1H3,(H2,34,35)(H,36,41)(H,37,42)
Show/Hide
|
||||||||||||||||||
| InChIKey |
HELQJUWSTQCERT-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 | |||||||||||||||||||
| PubChem ID | |||||||||||||||||||
| 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: PT00845, RAC-alpha serine/threonine-protein kinase
Cell-based Assay
Protein ID: PT01131, RAC-beta serine/threonine-protein kinase
Protein ID: PT01022, RAC-gamma serine/threonine-protein kinase
Cell Viability or Cytotoxicity Assay
| Cell Line ID | Cell Line Name | Cell Line Organism | |
| CL000072 | A2780 | Homo sapiens (Human) | 1 |
| 1 |
IC50 = 6000 nM
|
TI
LI
LO
TS
|
|
|---|---|---|---|
| CL000303 | AN3-CA | Homo sapiens (Human) | 1 |
| 1 |
IC50 = 2100 nM
|
TI
LI
LO
TS
|
|