Compound Detail
CHEMBL413020
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C[C@@H]1O[C@H](O[C@H]2CC[C@]3(C)[C@H]4CC[C@@H]5[C@H]6[C@@H]7OC[C@@]6(CCC7(C)C)CC[C@@]5(C)[C@]4(C)CC[C@H]3C2(C)C)[C@@H](O)[C@@H](O)[C@@H]1O
Basic Information
| ChEMBL ID | CHEMBL413020 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CVGSVNBSWOAKKY-SYHGKNOPSA-N |
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
588.9
MW (Da)
6.09
ALogP
6
HBA
3
HBD
88.4
PSA (Ų)
0.34
QED
2
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17614290 | 10.1016/j.bmc.2007.06.033 | A549 | 1 |
| 17614290 | 10.1016/j.bmc.2007.06.033 | DLD-1 | 1 |
| 17614290 | 10.1016/j.bmc.2007.06.033 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine