Compound Detail
CHEMBL1213550
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COc1ccc(CCC[C@H]2C(=O)O[C@@H]3O[C@@]4(C)CC[C@H]5[C@H](C)CC[C@@H]2[C@@]35OO4)cc1
Basic Information
| ChEMBL ID | CHEMBL1213550 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WXOUGPOKGHVWJU-BKAUZXKHSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
416.5
MW (Da)
4.41
ALogP
6
HBA
0
HBD
63.2
PSA (Ų)
0.52
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Leishmania donovani CHEMBL367 | IC50 | 4.92 | 4.92 | 12000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Leishmania donovani | IC50 | = | 12000.0 | nM | 4.92 | Antimicrobial activity against Leishmania donovani | 20185316 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20185316 | 10.1016/j.bmc.2010.01.068 | Leishmania donovani | 1 |
Data from ChEMBL 36 via Core Engine