Compound Detail
CHEMBL566739
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CC(=O)O[C@H]1[C@H]2c3cc4c(cc3CN3CC[C@@H](C[C@@H]1OC(C)=O)[C@H]23)OCO4
Basic Information
| ChEMBL ID | CHEMBL566739 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IUKYXZADSGGCJJ-XCLGDFDDSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
373.4
MW (Da)
1.97
ALogP
7
HBA
0
HBD
74.3
PSA (Ų)
0.73
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.46
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 4.46 | 4.46 | 34800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 34800.0 | nM | 4.46 | Antiplasmodial activity against Plasmodium falciparum F32-Tanzania after 24 hrs | 20627737 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19788245 | 10.1021/jm901031h | NON-PROTEIN TARGET | 3 |
| 19788245 | 10.1021/jm901031h | A549 | 1 |
| 19788245 | 10.1021/jm901031h | SK-MEL-28 | 1 |
| 19788245 | 10.1021/jm901031h | B16-F10 | 1 |
| 20627737 | 10.1016/j.bmc.2010.05.023 | Plasmodium falciparum | 1 |
Data from ChEMBL 36 via Core Engine