Compound Detail
CHEMBL4448415
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C=CCO[C@@]1(C(F)(F)F)O[C@@H]2O[C@@]3(C)C[C@H]4[C@H](C)CC[C@@H](C1=C)[C@@]24OO3
Basic Information
| ChEMBL ID | CHEMBL4448415 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XGTWVCOOORIUTA-UJLNSSGYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
376.4
MW (Da)
3.86
ALogP
5
HBA
0
HBD
46.1
PSA (Ų)
0.55
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.26
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Leishmania donovani CHEMBL367 | IC50 | 5.26 | 5.26 | 5500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Leishmania donovani | IC50 | = | 5500.0 | nM | 5.26 | 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