Compound Detail
CHEMBL2022007
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Basic Information
| ChEMBL ID | CHEMBL2022007 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XREHYRWLXAQXTL-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
481.6
MW (Da)
6.79
ALogP
6
HBA
2
HBD
98.0
PSA (Ų)
0.26
QED
1
Ro5 Violations
13
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 6.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | EC50 | 6.5 | 6.135 | 320.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | EC50 | = | 320.0 | nM | 6.5 | Estrogenic activity at estrogen receptor in human MCF7:D5L cells co-expressing E... | 22464681 |
| Unchecked | EC50 | = | 1700.0 | nM | 5.77 | Estrogenic activity at estrogen receptor in human Ishikawa cells assessed as ind... | 22464681 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22464681 | 10.1016/j.bmc.2012.03.012 | Unchecked | 6 |
| 22464681 | 10.1016/j.bmc.2012.03.012 | MCF7 | 4 |
| 22464681 | 10.1016/j.bmc.2012.03.012 | MDA-MB-231 | 2 |
| 22464681 | 10.1016/j.bmc.2012.03.012 | Ishikawa | 2 |
| 22464681 | 10.1016/j.bmc.2012.03.012 | Estrogen receptor beta | 1 |
| 22464681 | 10.1016/j.bmc.2012.03.012 | Estrogen receptor | 1 |
Data from ChEMBL 36 via Core Engine