Compound Detail
CHEMBL5268670
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CN(CCCCC[C@@H]1Cc2cc(O)ccc2C2C1C1CC[C@H](O)[C@@]1(C)C[C@@H]2F)CCCSCCCC(F)(F)C(F)(F)F
Basic Information
| ChEMBL ID | CHEMBL5268670 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CNMFCEIWLPSHPT-OVNLJQFOSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
623.8
MW (Da)
8.38
ALogP
4
HBA
2
HBD
43.7
PSA (Ų)
0.16
QED
2
Ro5 Violations
14
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| MCF7 CHEMBL387 | IC50 | 8.62 | 8.62 | 2.4 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| MCF7 | IC50 | = | 2.4 | nM | 8.62 | Antiproliferative activity against human MCF7 cells | 33138369 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33138369 | 10.1021/acs.jmedchem.0c00913 | MCF7 | 1 |
Data from ChEMBL 36 via Core Engine