Compound Detail
CHEMBL4448769
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CC[C@H](C)C(=O)c1c(O)cc(O)c(CC(CCC(C)(C)O)/C(C)=C/CC=C(C)C)c1O
Basic Information
| ChEMBL ID | CHEMBL4448769 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GETIXZDAEDHJBG-KKWZSTNZSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
432.6
MW (Da)
6.04
ALogP
5
HBA
4
HBD
98.0
PSA (Ų)
0.25
QED
1
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.08
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 5.08 | 5.08 | 8300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 8300.0 | nM | 5.08 | Antiplasmodial activity against Plasmodium falciparum Dd2 assessed as reduction ... | 30354100 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30354100 | 10.1021/acs.jnatprod.8b00379 | Plasmodium falciparum | 1 |
| 30354100 | 10.1021/acs.jnatprod.8b00379 | A2780 | 1 |
Data from ChEMBL 36 via Core Engine