Compound Detail
CHEMBL506816
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C[C@H]1O[C@@H](O[C@H]2[C@H](O[C@H]3CC[C@]4(C)[C@H]5CC=C6[C@@H]7CC(C)(C)CC[C@]7(C(=O)O)CC[C@@]6(C)[C@]5(C)CC[C@H]4C3(C)C)OC[C@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O
Basic Information
| ChEMBL ID | CHEMBL506816 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IBAJNOZMACNWJD-JJDLJMFBSA-N |
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
735.0
MW (Da)
4.55
ALogP
10
HBA
6
HBD
175.4
PSA (Ų)
0.17
QED
2
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10757708 | 10.1021/np990231n | WEHI-164 | 1 |
| 10757708 | 10.1021/np990231n | J774 | 1 |
| 10757708 | 10.1021/np990231n | HEK293 | 1 |
Data from ChEMBL 36 via Core Engine