Compound Detail
CHEMBL135403
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CCCC[C@H]1C(=O)O[C@@H]2O[C@@]3(CCCCc4ccccc4)CCC4[C@H](C)CC[C@@H]1[C@]42OO3
Basic Information
| ChEMBL ID | CHEMBL135403 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VYYHWSPQTXJHED-PKELPXMDSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
442.6
MW (Da)
5.96
ALogP
5
HBA
0
HBD
54.0
PSA (Ų)
0.28
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.35
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Leishmania donovani CHEMBL367 | IC50 | 5.35 | 5.35 | 4500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Leishmania donovani | IC50 | = | 4500.0 | nM | 5.35 | Antileishmanial activity of compound against leishmania donovani was determined ... | 13678403 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 13678403 | 10.1021/jm030181q | Leishmania donovani | 1 |
Data from ChEMBL 36 via Core Engine