Compound Detail
CHEMBL4846253
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N#Cc1ccc(O[C@H]2CC[C@H](NC(=O)c3ccc(N4CCN(CC5CCN(c6ccc7c(c6)C(=O)N(C6CCC(=O)NC6=O)C7=O)CC5)CC4)cc3)CC2)cc1Cl
Basic Information
| ChEMBL ID | CHEMBL4846253 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QJZUVOHJKPMREF-SIOTYANSSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
792.3
MW (Da)
4.77
ALogP
10
HBA
2
HBD
155.4
PSA (Ų)
0.29
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.57
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| VCaP CHEMBL4296508 | IC50 | 8.57 | 8.57 | 2.7 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| VCaP | IC50 | = | 2.7 | nM | 8.57 | Growth inhibition of human VCaP cells assessed as cell viability by WST-8 assay | 34473519 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34473519 | 10.1021/acs.jmedchem.1c00900 | Protein cereblon/Androgen receptor | 2 |
| 34473519 | 10.1021/acs.jmedchem.1c00900 | VCaP | 1 |
Data from ChEMBL 36 via Core Engine