Compound Detail
CHEMBL5979005
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C[C@@H]1Cc2c(oc3cccc(F)c23)[C@@H](c2c(F)cc(/C=C/C(=O)O)cc2F)N1CC(C)(C)F
Basic Information
| ChEMBL ID | CHEMBL5979005 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CSLSRMAQGWLAMP-PGNQOXEDSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
461.5
MW (Da)
6.03
ALogP
3
HBA
1
HBD
53.7
PSA (Ų)
0.37
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 9.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| G-protein coupled estrogen receptor 1 CHEMBL5872 | IC50 | 9.68 | 9.68 | 0.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| G-protein coupled estrogen receptor 1 | IC50 | = | 0.21 | nM | 9.68 | Biological Assay: The compounds of the present invention have an inhibition effe... | - |
Data from ChEMBL 36 via Core Engine