Compound Detail
CHEMBL4559932
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C[C@@H]1CC[C@H]2[C@@H](C)[C@](OO)(C(F)(F)F)O[C@@H]3O[C@@]4(C)C[C@@H]1[C@]32OO4
Basic Information
| ChEMBL ID | CHEMBL4559932 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LQNLQRJEVGOEKA-DGOVWHBRSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
354.3
MW (Da)
3.23
ALogP
6
HBA
1
HBD
66.4
PSA (Ų)
0.58
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Leishmania donovani CHEMBL367 | IC50 | 5.6 | 5.6 | 2500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Leishmania donovani | IC50 | = | 2500.0 | nM | 5.6 | Antileishmanial activity against promastigote stage of Leishmania donovani MHOM/... | 30878827 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30878827 | 10.1016/j.ejmech.2019.02.070 | Leishmania donovani | 1 |
Data from ChEMBL 36 via Core Engine