Compound Detail
CHEMBL1627712
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C[C@]12C[C@H](CCOCCF)[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@@H]2O
Basic Information
| ChEMBL ID | CHEMBL1627712 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NHMZVMVWBFWDCK-USUWBSJTSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
362.5
MW (Da)
4.21
ALogP
3
HBA
2
HBD
49.7
PSA (Ų)
0.77
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 7.26
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Ishikawa CHEMBL614649 | Ki | 7.26 | 7.26 | 55.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Ishikawa | Ki | = | 55.0 | nM | 7.26 | Inhibitory constant against stimulation of alkaline phosphatase activity in Ishi... | 15743187 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15743187 | 10.1021/jm049352x | Estrogen receptor | 2 |
| 15743187 | 10.1021/jm049352x | Ishikawa | 1 |
| 15743187 | 10.1021/jm049352x | Estrogen receptor beta | 1 |
Data from ChEMBL 36 via Core Engine