Compound Detail
CHEMBL226513
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CCOP(=O)(CC[C@H](O)[C@H]1[C@H]2CC[C@@H]3[C@@H]2C(C)(C)CCC[C@]13C)OCC
Basic Information
| ChEMBL ID | CHEMBL226513 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GINFTWGTTFEVOG-PRRWTPNDSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
386.5
MW (Da)
5.49
ALogP
4
HBA
1
HBD
55.8
PSA (Ų)
0.56
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| UDP-glucuronosyltransferase 2B7 CHEMBL4370 | IC50 | 5.4 | 5.4 | 4000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| UDP-glucuronosyltransferase 2B7 | IC50 | = | 4000.0 | nM | 5.4 | Inhibition of human UGT2B7 assessed as reduction of estriol glucuronidation | 17474732 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17474732 | 10.1021/jm061204e | UDP-glucuronosyltransferase 2B7 | 5 |
Data from ChEMBL 36 via Core Engine