Compound Detail
CHEMBL3775434
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Basic Information
| ChEMBL ID | CHEMBL3775434 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DYOBVJBSGDMYED-IADYIPOJSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
441.6
MW (Da)
6.07
ALogP
4
HBA
0
HBD
38.8
PSA (Ų)
0.24
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.11
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Estrogen receptor CHEMBL206 | IC50 | 8.11 | 8.11 | 7.7 | 1 |
| Estrogen receptor beta CHEMBL242 | IC50 | 6.58 | 6.58 | 260.0 | 1 |
| MCF7 CHEMBL387 | IC50 | 5.58 | 5.58 | 2600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Estrogen receptor | IC50 | = | 7.7 | nM | 8.11 | Displacement of [3H]-E2 from human ER-alpha incubated for 16 to 20 hrs by liquid... | 26896706 |
| Estrogen receptor beta | IC50 | = | 260.0 | nM | 6.58 | Displacement of [3H]-E2 from human ER-beta incubated for 16 to 20 hrs by liquid ... | 26896706 |
| MCF7 | IC50 | = | 2600.0 | nM | 5.58 | Antiproliferative activity against human MCF7 cells after 72 hrs by MTT assay | 26896706 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26896706 | 10.1016/j.ejmech.2016.02.026 | MCF7 | 1 |
| 26896706 | 10.1016/j.ejmech.2016.02.026 | Estrogen receptor | 1 |
| 26896706 | 10.1016/j.ejmech.2016.02.026 | Estrogen receptor beta | 1 |
| 26896706 | 10.1016/j.ejmech.2016.02.026 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine