Compound Detail
CHEMBL589522
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C[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](OC(=O)/C=C/c6ccc(O)cc6)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2[C@]1(C)O
Basic Information
| ChEMBL ID | CHEMBL589522 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BZORLJPADUHVJE-QWBBESJSSA-N |
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
634.9
MW (Da)
7.15
ALogP
6
HBA
4
HBD
124.3
PSA (Ų)
0.16
QED
2
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21619045 | 10.1021/np100896w | Enoyl-acyl-carrier protein reductase | 2 |
| 21619045 | 10.1021/np100896w | Unchecked | 2 |
| 20100662 | 10.1016/j.bmc.2010.01.010 | 11-beta-hydroxysteroid dehydrogenase 1 | 1 |
| 20100662 | 10.1016/j.bmc.2010.01.010 | 11-beta-hydroxysteroid dehydrogenase type 2 | 1 |
Data from ChEMBL 36 via Core Engine