Compound Detail
CHEMBL455316
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CC(=O)O[C@H]1C(NC(=O)c2ccccc2)=CC[C@]2(C)[C@H]3CC[C@]4(C)[C@@H]([C@H](C)N(C)C)CC[C@H]4[C@@H]3CC[C@@H]12
Basic Information
| ChEMBL ID | CHEMBL455316 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LANJPWZPYVPLQZ-SKMXPDMESA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
506.7
MW (Da)
6.06
ALogP
4
HBA
1
HBD
58.6
PSA (Ų)
0.49
QED
2
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Anti-estrogen binding site (AEBS) CHEMBL612409 | IC50 | 6.22 | 6.22 | 600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Anti-estrogen binding site (AEBS) | IC50 | = | 600.0 | nM | 6.22 | Displacement of [3H]tamoxifen from antiestrogen binding site in Sprague-Dawley r... | 9784163 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9784163 | 10.1021/np980162x | Anti-estrogen binding site (AEBS) | 1 |
| 9784163 | 10.1021/np980162x | Ishikawa | 1 |
Data from ChEMBL 36 via Core Engine