Compound Detail
CHEMBL4163793
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Cc1c2c(c(O)c3c1OC1=C(C(=O)C(C)(C)C(=O)C1(C)C)C3CC(C)C)C(=O)C[C@@H](c1ccccc1)O2
Basic Information
| ChEMBL ID | CHEMBL4163793 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FENVPGGUCXCZQI-IJHRGXPZSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
502.6
MW (Da)
6.39
ALogP
6
HBA
1
HBD
89.9
PSA (Ų)
0.49
QED
2
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.01
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 5.01 | 4.965 | 9800.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 9800.0 | nM | 5.01 | Antiplasmodial activity against drug-sensitive Plasmodium falciparum 3D7 ring st... | 29969262 |
| Plasmodium falciparum | IC50 | = | 11900.0 | nM | 4.92 | Antiplasmodial activity against 4-aminoquinoline/antifolates-resistant Plasmodiu... | 29969262 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29969262 | 10.1021/acs.jnatprod.8b00154 | Plasmodium falciparum | 2 |
| 29969262 | 10.1021/acs.jnatprod.8b00154 | HEK293 | 1 |
Data from ChEMBL 36 via Core Engine