Compound Detail
CHEMBL211065
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
Cc1cc(CC(C)(C)C2C(=O)Nc3ccc(-c4cncc(OC[C@@H](N)Cc5c[nH]c6ccccc56)c4)cc32)oc1C
Basic Information
| ChEMBL ID | CHEMBL211065 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KDWRWHYXTBMSEU-HKIGIVDHSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
548.7
MW (Da)
6.69
ALogP
5
HBA
3
HBD
106.2
PSA (Ų)
0.19
QED
2
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| RAC-alpha serine/threonine-protein kinase CHEMBL4282 | IC50 | 8.0 | 8.0 | 10.0 | 1 |
| F5.12 CHEMBL614948 | IC50 | 6.01 | 6.01 | 970.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| RAC-alpha serine/threonine-protein kinase | IC50 | = | 10.0 | nM | 8.0 | Inhibition of AKT1 in presence of 5 uM ATP | 16644221 |
| F5.12 | IC50 | = | 970.0 | nM | 6.01 | Cytotoxicity against F5.12-Akt cells by MTT assay 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