Compound Detail
CHEMBL1627754
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CC(C)(C)COC(=O)C[C@H]1C[C@]2(C)[C@@H](O)CC[C@H]2[C@@H]2CCc3cc(O)ccc3[C@@H]12
Basic Information
| ChEMBL ID | CHEMBL1627754 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PXRRMCXNWHQHJW-SYNABNAWSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
400.6
MW (Da)
4.81
ALogP
4
HBA
2
HBD
66.8
PSA (Ų)
0.71
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 8.28
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Ishikawa CHEMBL614649 | Ki | 8.28 | 8.28 | 5.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Ishikawa | Ki | = | 5.2 | nM | 8.28 | Inhibitory constant against stimulation of alkaline phosphatase activity in Ishi... | 15743187 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15743187 | 10.1021/jm049352x | Estrogen receptor | 1 |
| 15743187 | 10.1021/jm049352x | Ishikawa | 1 |
Data from ChEMBL 36 via Core Engine