Compound Detail
CHEMBL3657182
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Cc1c(-c2ccc(O)cc2)n(Cc2ccc(OCCN3CC4(C)CC3C(C)(C)C4)cc2)c2ccc(O)cc12
Basic Information
| ChEMBL ID | CHEMBL3657182 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KIGSVFCTEPTLNN-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
510.7
MW (Da)
6.97
ALogP
5
HBA
2
HBD
57.9
PSA (Ų)
0.28
QED
2
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Estrogen receptor CHEMBL206 | IC50 | 6.82 | 6.82 | 150.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Estrogen receptor | IC50 | = | 150.0 | nM | 6.82 | Binding Assay: The competition assay was performed in a 96-well plate (polystyre... | - |
| Estrogen receptor | IC50 | = | 150.0 | nM | 6.82 | Binding Assay: The competition assay was performed in a 96-well plate (polystyre... | - |
Data from ChEMBL 36 via Core Engine