Compound Detail
CHEMBL3775481
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CC(=O)O[C@H]1CC[C@]2(C)[C@H]3C(=O)C=C4[C@@H]5C[C@@](C)(C#N)CC[C@]5(C)CC[C@@]4(C)[C@]3(C)CC[C@H]2C1(C)C
Basic Information
| ChEMBL ID | CHEMBL3775481 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GBQQBVYMDCLTKC-PQWABCCHSA-N |
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
493.7
MW (Da)
7.42
ALogP
4
HBA
0
HBD
67.2
PSA (Ų)
0.36
QED
1
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26900660 | 10.1016/j.ejmech.2016.02.020 | Cocaine esterase | 1 |
| 26900660 | 10.1016/j.ejmech.2016.02.020 | Liver carboxylesterase 1 | 1 |
Data from ChEMBL 36 via Core Engine