Compound Detail
CHEMBL506936
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C=C1[C@H](OC(C)=O)C[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](OC(C)=O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]2[C@H]1C
Basic Information
| ChEMBL ID | CHEMBL506936 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CTKJAYFFCNKEFR-KGLDOJJDSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
526.8
MW (Da)
8.14
ALogP
4
HBA
0
HBD
52.6
PSA (Ų)
0.27
QED
2
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.0 | 5.0 | 10000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 10000.0 | nM | 5.0 | Inhibition of Saccharomyces sp. alpha-glucosidase | 18341288 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18341288 | 10.1021/np800001v | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine