Compound Detail
CHEMBL5791507
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
CNC(=O)COc1ccc2c(c1)CC(C)N(CC(C)(C)F)C2c1c(F)cc(/C=C/C(=O)O)cc1F
Basic Information
| ChEMBL ID | CHEMBL5791507 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HGYWNRSMJDSIRM-VMPITWQZSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
490.5
MW (Da)
4.27
ALogP
4
HBA
2
HBD
78.9
PSA (Ų)
0.54
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.84
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| G-protein coupled estrogen receptor 1 CHEMBL5872 | IC50 | 8.84 | 8.84 | 1.4 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| G-protein coupled estrogen receptor 1 | IC50 | = | 1.45 | nM | 8.84 | Biological Assay: The compounds of the present invention have an inhibition effe... | - |
Data from ChEMBL 36 via Core Engine