Compound Detail
CHEMBL5972367
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CS(=O)(=O)c1ccc([C@H]2CCc3cc(O)ccc3[C@H]2c2ccc(OCCN3CC(CF)C3)cc2)cc1
Basic Information
| ChEMBL ID | CHEMBL5972367 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NDYNOAQGHXQYKF-PXJZQJOASA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
509.6
MW (Da)
4.94
ALogP
5
HBA
1
HBD
66.8
PSA (Ų)
0.47
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 9.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Estrogen receptor CHEMBL206 | EC50 | 9.64 | 9.64 | 0.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Estrogen receptor | EC50 | = | 0.227 | nM | 9.64 | Biological Evaluation: The relative efficacies of Formula I compounds as inhibit... | - |
Data from ChEMBL 36 via Core Engine