Compound Detail
CHEMBL4458338
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CCCCN(Cc1ccc(C(=O)OC)cc1)C(=O)Nc1ccc(OCCCCCn2cc(CNc3cccc4c3C(=O)N(C3CCC(=O)NC3=O)C4=O)nn2)cc1
Basic Information
| ChEMBL ID | CHEMBL4458338 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AEELVLOYVCNYOX-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
778.9
MW (Da)
5.16
ALogP
12
HBA
3
HBD
194.2
PSA (Ų)
0.07
QED
3
Ro5 Violations
18
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 7.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| MM1.S CHEMBL4296471 | EC50 | 7.75 | 7.75 | 17.7 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| MM1.S | EC50 | = | 17.7 | nM | 7.75 | Antiproliferative activity against human MM1S cells assessed as reduction in cel... | 31271281 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31271281 | 10.1021/acs.jmedchem.9b00516 | MM1.S | 3 |
| 31271281 | 10.1021/acs.jmedchem.9b00516 | Protein cereblon/Histone deacetylase 6 | 1 |
Data from ChEMBL 36 via Core Engine