Compound Detail
CHEMBL6034275
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
CCn1cc(-c2ccc3oc4c(c3c2)CC(C)N(CC(C)(C)F)C4c2c(F)cc(/C=C/C(=O)O)cc2F)cn1
Basic Information
| ChEMBL ID | CHEMBL6034275 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YSVIKKDLEGRPHK-RMKNXTFCSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
537.6
MW (Da)
6.78
ALogP
5
HBA
1
HBD
71.5
PSA (Ų)
0.26
QED
2
Ro5 Violations
7
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.86
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| G-protein coupled estrogen receptor 1 CHEMBL5872 | IC50 | 8.86 | 8.86 | 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 | = | 1.39 | nM | 8.86 | Biological Assay: The compounds of the present invention have an inhibition effe... | - |
Data from ChEMBL 36 via Core Engine