Compound Detail
CHEMBL5857385
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
C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2c(F)ccc(OCCNCCCF)c2C(F)F)N1C[C@H](C)C(=O)O
Basic Information
| ChEMBL ID | CHEMBL5857385 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SHBYLUMKVZHSKT-PAPQREIWSA-N |
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
535.6
MW (Da)
5.63
ALogP
4
HBA
3
HBD
77.6
PSA (Ų)
0.21
QED
2
Ro5 Violations
12
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 9.21
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Estrogen receptor CHEMBL206 | IC50 | 9.21 | 8.97 | 0.6 | 4 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Estrogen receptor | IC50 | = | 0.62 | nM | 9.21 | MCF-7 ER Down-Regulation Assay: The ability of compounds to down-regulate Estrog... | - |
| Estrogen receptor | IC50 | = | 1.3 | nM | 8.89 | ERalpha Binding Assay: The ability of compounds to bind to isolated Estrogen Rec... | - |
| Estrogen receptor | IC50 | = | 1.3 | nM | 8.89 | Binding Assay: ERα: The ability of compounds to bind to isolated Estrogen Recept... | - |
| Estrogen receptor | IC50 | = | 1.3 | nM | 8.89 | ERalpha Binding Assay: The ability of compounds to bind to isolated Estrogen Rec... | - |
Data from ChEMBL 36 via Core Engine