Compound Detail
CHEMBL5076856
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O=C(Cc1ccc(-c2ccc(OCCCN3C[C@@H]4C[C@H]3CO4)cc2)cn1)NCc1ccccc1
Basic Information
| ChEMBL ID | CHEMBL5076856 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LEGZLUNFBJFYPX-BDYUSTAISA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
457.6
MW (Da)
3.85
ALogP
5
HBA
1
HBD
63.7
PSA (Ų)
0.47
QED
0
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| SK-OV-3 CHEMBL614925 | IC50 | 7.1 | 7.1 | 80.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| SK-OV-3 | IC50 | = | 80.2 | nM | 7.1 | Antiproliferative activity against human SK-OV-3 cells assessed as inhibition of... | 34081857 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34081857 | 10.1021/acs.jmedchem.0c01961 | K562 | 1 |
| 34081857 | 10.1021/acs.jmedchem.0c01961 | SK-OV-3 | 1 |
| 34081857 | 10.1021/acs.jmedchem.0c01961 | Ramos | 1 |
Data from ChEMBL 36 via Core Engine