Compound Detail
CHEMBL3657157
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Cc1c(-c2ccc(C(F)(F)F)cc2)n(Cc2ccc(OCCN3CCCCC3)cc2)c2ccc(O)cc12
Basic Information
| ChEMBL ID | CHEMBL3657157 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VGEMBQMSELNKPV-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
508.6
MW (Da)
7.25
ALogP
4
HBA
1
HBD
37.6
PSA (Ų)
0.29
QED
2
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Estrogen receptor CHEMBL206 | IC50 | 6.77 | 6.77 | 170.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Estrogen receptor | IC50 | = | 170.0 | nM | 6.77 | Binding Assay: The competition assay was performed in a 96-well plate (polystyre... | - |
| Estrogen receptor | IC50 | = | 170.0 | nM | 6.77 | Binding Assay: The competition assay was performed in a 96-well plate (polystyre... | - |
Data from ChEMBL 36 via Core Engine