Compound Detail
CHEMBL5399565
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
CC(=O)N1CC[C@@H](c2ccc(F)c(F)c2)[C@H](NC(=O)c2cc3c(s2)OCCn2ncc(Br)c2-3)C1
Basic Information
| ChEMBL ID | CHEMBL5399565 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OSZRXSFATSCQMK-IFXJQAMLSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
551.4
MW (Da)
4.18
ALogP
6
HBA
1
HBD
76.5
PSA (Ų)
0.53
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.04
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| RAC-alpha serine/threonine-protein kinase CHEMBL4282 | IC50 | 6.04 | 6.04 | 911.0 | 1 |
| N2a CHEMBL614062 | IC50 | 4.8 | 4.8 | 15870.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| RAC-alpha serine/threonine-protein kinase | IC50 | = | 911.0 | nM | 6.04 | Inhibition of AKT1 (unknown origin) | 37749892 |
| N2a | IC50 | = | 15870.0 | nM | 4.8 | Antiproliferative activity against mouse Neuro2a cells assessed as reduction in ... | 37749892 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37749892 | 10.1021/acs.jmedchem.3c00829 | N2a | 4 |
| 37749892 | 10.1021/acs.jmedchem.3c00829 | RAC-alpha serine/threonine-protein kinase | 1 |
Data from ChEMBL 36 via Core Engine