Compound Detail
CHEMBL4085159
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CO[C@H]1CC(=O)[C@]2(C)[C@H]3CC[C@]4(COC(C)=O)[C@](O)([C@@](C)(O)[C@H]5CC(C)=C(C)C(=O)O5)CC[C@@]4(O)[C@@H]3C[C@H]3O[C@]32C1
Basic Information
| ChEMBL ID | CHEMBL4085159 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AOVJIXFVJBKZSO-RSFWEOHHSA-N |
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
576.7
MW (Da)
2.15
ALogP
10
HBA
3
HBD
152.1
PSA (Ų)
0.33
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28257574 | 10.1021/acs.jmedchem.7b00069 | ACHN | 1 |
Data from ChEMBL 36 via Core Engine