Compound Detail
CHEMBL5571569
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COC(=O)C1=CCC[C@@H]2[C@@](C)(CCc3ccco3)[C@H](C(=O)OC)CC[C@@]12C
Basic Information
| ChEMBL ID | CHEMBL5571569 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DRHGTWVWJJCLJL-UDKICSLYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
374.5
MW (Da)
4.32
ALogP
5
HBA
0
HBD
65.7
PSA (Ų)
0.72
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.57
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Leishmania amazonensis CHEMBL612877 | IC50 | 7.57 | 7.57 | 27.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Leishmania amazonensis | IC50 | = | 27.0 | nM | 7.57 | Antileishmanial activity against Leishmania amazonensis promastigotes assessed a... | 37421889 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37421889 | 10.1016/j.ejmech.2023.115609 | Leishmania amazonensis | 1 |
Data from ChEMBL 36 via Core Engine