Compound Detail
CHEMBL2398391
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C[C@H]1[C@@H](OC(=O)C(F)(F)C(F)(F)F)O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]1[C@@]24OO3
Basic Information
| ChEMBL ID | CHEMBL2398391 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SHXMSGYZFIKDSY-RENAPAEUSA-N |
0
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
430.4
MW (Da)
3.94
ALogP
6
HBA
0
HBD
63.2
PSA (Ų)
0.38
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas.
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23685181 | 10.1016/j.bmc.2013.04.059 | NON-PROTEIN TARGET | 4 |
| 23685181 | 10.1016/j.bmc.2013.04.059 | ADMET | 4 |
| 23685181 | 10.1016/j.bmc.2013.04.059 | SK-HEP1 | 1 |
| 23685181 | 10.1016/j.bmc.2013.04.059 | HepG2 | 1 |
Data from ChEMBL 36 via Core Engine