Compound Detail
CHEMBL5969381
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CC1=C(c2cccc(O)c2)C(c2ccc(OC[C@H](C)N3CC[C@@H](F)C3)cc2)Oc2ccc(O)cc21
Basic Information
| ChEMBL ID | CHEMBL5969381 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NUQUVEAGDOYRMA-CFJHUQRDSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
475.6
MW (Da)
5.97
ALogP
5
HBA
2
HBD
62.2
PSA (Ų)
0.46
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Estrogen receptor CHEMBL206 | IC50 | 6.7 | 6.7 | 200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Estrogen receptor | IC50 | = | 200.0 | nM | 6.7 | Breast Cancer Cell Viability Assay: MCF-7 cells were adjusted to a concentration... | - |
Data from ChEMBL 36 via Core Engine