Compound Detail
CHEMBL4867888
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CCN(c1ccc(C#N)c(Cl)c1)[C@H]1CC[C@H](NC(=O)c2ccc(N3CCC(N4CCN(c5ccc6c(c5)C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)CC3)cc2)CC1
Basic Information
| ChEMBL ID | CHEMBL4867888 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VZVAWYNZTBXESG-BULKPCKOSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
805.4
MW (Da)
4.97
ALogP
10
HBA
2
HBD
149.4
PSA (Ų)
0.28
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| VCaP CHEMBL4296508 | IC50 | 8.68 | 8.68 | 2.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| VCaP | IC50 | = | 2.1 | nM | 8.68 | 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