Compound Detail
CHEMBL209005
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
O=C1Nc2ccc(N[C@H](COc3cncc(-c4ccc5c(c4)C(Cc4ccccc4)C(=O)N5)c3)Cc3c[nH]c4ccccc34)cc2C1Cc1ccccc1
Basic Information
| ChEMBL ID | CHEMBL209005 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ROVDJECCOOHFNB-BBAODPBISA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
709.9
MW (Da)
8.89
ALogP
5
HBA
4
HBD
108.1
PSA (Ų)
0.10
QED
2
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.99
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| RAC-alpha serine/threonine-protein kinase CHEMBL4282 | IC50 | 5.99 | 5.99 | 1020.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| RAC-alpha serine/threonine-protein kinase | IC50 | = | 1020.0 | nM | 5.99 | Inhibition of AKT1 in presence of 5 uM ATP | 16644221 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16644221 | 10.1016/j.bmcl.2006.04.005 | F5.12 | 1 |
| 16644221 | 10.1016/j.bmcl.2006.04.005 | RAC-alpha serine/threonine-protein kinase | 1 |
Data from ChEMBL 36 via Core Engine