Compound Detail
CHEMBL3804907
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CCCCCCCCCCCCCCNCCOc1ccc(C(=O)c2c(-c3ccc(O)cc3)sc3cc(O)ccc23)cc1
Basic Information
| ChEMBL ID | CHEMBL3804907 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OLLHHCHPTJVJRM-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
601.9
MW (Da)
9.88
ALogP
6
HBA
3
HBD
78.8
PSA (Ų)
0.07
QED
2
Ro5 Violations
20
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.55
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Estrogen receptor CHEMBL206 | IC50 | 7.55 | 7.55 | 28.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Estrogen receptor | IC50 | = | 28.0 | nM | 7.55 | Displacement of Fluormone ES2 from human recombinant full length untagged-ERalph... | 27185013 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27185013 | 10.1016/j.bmc.2016.04.068 | Estrogen receptor | 2 |
Data from ChEMBL 36 via Core Engine