Compound Detail
CHEMBL523408
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O=C(OCC1c2ccccc2-c2ccccc21)N1CCC2(CC1)COC1(OO2)C2CC3CC(C2)CC1C3
Basic Information
| ChEMBL ID | CHEMBL523408 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | COMIFBLGANZJNY-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
501.6
MW (Da)
5.90
ALogP
5
HBA
0
HBD
57.2
PSA (Ų)
0.48
QED
2
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.76
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 6.76 | 6.76 | 174.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 174.23 | nM | 6.76 | Antimalarial activity against Plasmodium falciparum 3D7 infected human erythrocy... | 18845438 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18845438 | 10.1016/j.bmcl.2008.09.052 | Plasmodium falciparum | 1 |
Data from ChEMBL 36 via Core Engine