Compound Detail
CHEMBL2373361
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C/C(=C\c1ncccc1C)[C@@H]1C[C@@H]2O[C@]2(C)CCC[C@H](C)[C@H](O)[C@@H](C)C(=O)C(C)(C)[C@@H](O)CC(=O)O1
Basic Information
| ChEMBL ID | CHEMBL2373361 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CUMNCKXCXKVCQP-DPVOWAMBSA-N |
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
501.7
MW (Da)
4.42
ALogP
7
HBA
2
HBD
109.2
PSA (Ų)
0.46
QED
1
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16134928 | 10.1021/jm050524f | 1A9 | 2 |
| 16134928 | 10.1021/jm050524f | 1A9/ptx-10 | 2 |
| 16134928 | 10.1021/jm050524f | 1A9/ptx-22 | 2 |
| 16134928 | 10.1021/jm050524f | Tubulin beta-4B chain | 1 |
Data from ChEMBL 36 via Core Engine