Compound Detail
CHEMBL5978277
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COC(=O)/C=C/c1cc(F)c(C2c3cc4c(cc3CC(C)N2CC(C)(C)F)OCCO4)c(F)c1
Basic Information
| ChEMBL ID | CHEMBL5978277 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YYDJDTVNLJDVKY-AATRIKPKSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
475.5
MW (Da)
5.01
ALogP
5
HBA
0
HBD
48.0
PSA (Ų)
0.45
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.49
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| G-protein coupled estrogen receptor 1 CHEMBL5872 | IC50 | 8.49 | 8.49 | 3.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| G-protein coupled estrogen receptor 1 | IC50 | = | 3.2 | nM | 8.49 | Biological Assay: The compounds of the present invention have an inhibition effe... | - |
Data from ChEMBL 36 via Core Engine