Compound Detail
CHEMBL4452045
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CC1CC(C)CN(C(=O)c2ccc(CSc3cccc4c3CN(C3CCC(=O)NC3=O)C4=O)cc2)C1
Basic Information
| ChEMBL ID | CHEMBL4452045 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OLMAXYIOEUZKFE-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
505.6
MW (Da)
3.86
ALogP
5
HBA
1
HBD
86.8
PSA (Ų)
0.49
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 8.22 | 8.22 | 6.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 6.0 | nM | 8.22 | Antiproliferative activity against human Mino cells measured after 72 hrs by Cel... | 31125896 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31125896 | 10.1016/j.ejmech.2019.05.035 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine