Compound Detail
CHEMBL5858899
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Oc1ccc2c(c1)CC[C@@H](c1ccccc1)[C@H]2c1ccc(NCCN2CC[C@@H](CF)C2)cc1
Basic Information
| ChEMBL ID | CHEMBL5858899 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YBYKLPHENHJJJA-DGYBNRFQSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
444.6
MW (Da)
5.96
ALogP
3
HBA
2
HBD
35.5
PSA (Ų)
0.47
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 9.11
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Estrogen receptor CHEMBL206 | EC50 | 9.11 | 9.11 | 0.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Estrogen receptor | EC50 | = | 0.773 | nM | 9.11 | Biological Evaluation: The relative efficacies of Formula I compounds as inhibit... | - |
Data from ChEMBL 36 via Core Engine