Compound Detail
CHEMBL2087272
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O=C(O[C@@H]1C=C[C@@]23c4cc5c(cc4CN(C[C@H]2OC(=O)c2cccnc2)[C@H]3C1)OCO5)c1cccnc1
Basic Information
| ChEMBL ID | CHEMBL2087272 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WPOONVAMBZCBDX-RYADTZFVSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
497.5
MW (Da)
3.05
ALogP
9
HBA
0
HBD
100.1
PSA (Ų)
0.40
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 6.1 | 6.1 | 800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 800.0 | nM | 6.1 | Antiplasmodial activity against chloroquine-sensitive Plasmodium falciparum F-32... | 22910226 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22910226 | 10.1016/j.bmc.2012.07.036 | Plasmodium falciparum | 1 |
Data from ChEMBL 36 via Core Engine