Compound Detail
CHEMBL66587
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Basic Information
| ChEMBL ID | CHEMBL66587 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IXLVUVCSSVPRGK-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
409.6
MW (Da)
6.19
ALogP
4
HBA
1
HBD
32.7
PSA (Ų)
0.51
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| MCF7 CHEMBL387 | IC50 | 7.0 | 7.0 | 100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| MCF7 | IC50 | = | 100.0 | nM | 7.0 | Antiproliferative activity against human MCF7 cells | 22405286 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/0960-894X(95)00575-E | Estrogen receptor | 7 |
| 22405286 | 10.1016/j.ejmech.2012.02.021 | Estrogen receptor | 2 |
| 22405286 | 10.1016/j.ejmech.2012.02.021 | MCF7 | 1 |
Data from ChEMBL 36 via Core Engine