Compound Detail
CHEMBL5432522
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C=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 | CHEMBL5432522 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZHXMBFTVWKEROE-IFXJQAMLSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
563.4
MW (Da)
4.35
ALogP
6
HBA
1
HBD
76.5
PSA (Ų)
0.48
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.21
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| N2a CHEMBL614062 | IC50 | 5.21 | 5.21 | 6240.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| N2a | IC50 | = | 6240.0 | nM | 5.21 | 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