Compound Detail
CHEMBL5965839
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COCC(C)(F)CN1[C@H](c2c(F)cc(OCCNCCCF)cc2F)c2[nH]c3ccccc3c2C[C@H]1C
Basic Information
| ChEMBL ID | CHEMBL5965839 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GYEBZTBKPSKJSB-IKOUJAAKSA-N |
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
521.6
MW (Da)
5.48
ALogP
4
HBA
2
HBD
49.5
PSA (Ų)
0.24
QED
2
Ro5 Violations
12
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 10.06
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Estrogen receptor CHEMBL206 | IC50 | 10.06 | 9.0675 | 0.1 | 4 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Estrogen receptor | IC50 | = | 0.087 | nM | 10.06 | MCF-7 ER Down-Regulation Assay: The ability of compounds to down-regulate Estrog... | - |
| Estrogen receptor | IC50 | = | 0.78 | nM | 9.11 | MCF-7 ER Down-Regulation Assay: The ability of compounds to down-regulate Estrog... | - |
| Estrogen receptor | IC50 | = | 2.3 | nM | 8.64 | ERalpha Binding Assay: Compounds were dosed directly from a compound source micr... | - |
| Estrogen receptor | IC50 | = | 3.5 | nM | 8.46 | ERalpha Binding Assay: Compounds were dosed directly from a compound source micr... | - |
Data from ChEMBL 36 via Core Engine