Compound Detail
CHEMBL5864559
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Cc1c(OCCN(C)CCCF)ncc(F)c1[C@@H]1c2[nH]c3ccc(F)cc3c2C[C@@H](C)N1C[C@@H](C)C(=O)O
Basic Information
| ChEMBL ID | CHEMBL5864559 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RHWFHMRQXBNNRW-COLOXBMXSA-N |
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
532.6
MW (Da)
4.88
ALogP
5
HBA
2
HBD
81.7
PSA (Ų)
0.37
QED
1
Ro5 Violations
11
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 9.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Estrogen receptor CHEMBL206 | IC50 | 9.68 | 9.17 | 0.2 | 4 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Estrogen receptor | IC50 | = | 0.21 | nM | 9.68 | MCF-7 ER Down-Regulation Assay: The ability of compounds to down-regulate Estrog... | - |
| Estrogen receptor | IC50 | = | 1.0 | nM | 9.0 | ERalpha Binding Assay: The ability of compounds to bind to isolated Estrogen Rec... | - |
| Estrogen receptor | IC50 | = | 1.0 | nM | 9.0 | Binding Assay: ERα: The ability of compounds to bind to isolated Estrogen Recept... | - |
| Estrogen receptor | IC50 | = | 1.0 | nM | 9.0 | ERalpha Binding Assay: The ability of compounds to bind to isolated Estrogen Rec... | - |
Data from ChEMBL 36 via Core Engine