Compound Detail
CHEMBL4061812
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Basic Information
| ChEMBL ID | CHEMBL4061812 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LCBKSCQDRLKGQK-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
433.5
MW (Da)
3.45
ALogP
7
HBA
2
HBD
99.3
PSA (Ų)
0.43
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.51
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 6.51 | 6.495 | 310.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 310.0 | nM | 6.51 | Anti-plasmodial activity against chloroquine-sensitive Plasmodium falciparum NF5... | 28094524 |
| Plasmodium falciparum | IC50 | = | 330.0 | nM | 6.48 | Anti-plasmodial activity against multidrug resistant Plasmodium falciparum K1 by... | 28094524 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28094524 | 10.1021/acs.jmedchem.6b01641 | No relevant target | 3 |
| 28094524 | 10.1021/acs.jmedchem.6b01641 | Plasmodium falciparum | 2 |
| 28094524 | 10.1021/acs.jmedchem.6b01641 | CHO | 1 |
| 28094524 | 10.1021/acs.jmedchem.6b01641 | Unchecked | 1 |
| 28094524 | 10.1021/acs.jmedchem.6b01641 | Liver | 1 |
Data from ChEMBL 36 via Core Engine