Compound Detail
CHEMBL4648754
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CO[C@H]1[C@H](O[C@H]2CC[C@]3(C=O)[C@H]4CC[C@]5(C)[C@@H]6CC[C@]5(O[C@H]5OC(=O)C[C@H]56)[C@@H]4CC[C@]3(O)C2)O[C@H](C)[C@H](O)[C@@H]1OC
Basic Information
| ChEMBL ID | CHEMBL4648754 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NLFMJFYKLJVIOT-DXQKBWEPSA-N |
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
578.7
MW (Da)
2.50
ALogP
10
HBA
2
HBD
130.0
PSA (Ų)
0.29
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31953129 | 10.1016/j.bmc.2019.115301 | OVCAR-3 | 1 |
| 31953129 | 10.1016/j.bmc.2019.115301 | Unchecked | 1 |
| 31953129 | 10.1016/j.bmc.2019.115301 | HT-29 | 1 |
Data from ChEMBL 36 via Core Engine