Compound Detail
CHEMBL1800773
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Basic Information
| ChEMBL ID | CHEMBL1800773 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HTGFLXKWKVKCNV-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
401.4
MW (Da)
3.01
ALogP
5
HBA
2
HBD
76.2
PSA (Ų)
0.70
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 7.64 | 7.58 | 23.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 23.0 | nM | 7.64 | Antimalarial activity against Plasmodium falciparum W2 infected in human erythro... | 21644570 |
| Plasmodium falciparum | IC50 | = | 30.0 | nM | 7.52 | Antimalarial activity against Plasmodium falciparum 3D7 infected in human erythr... | 21644570 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21644570 | 10.1021/jm2003359 | ADMET | 4 |
| 21644570 | 10.1021/jm2003359 | Plasmodium falciparum | 2 |
| 21644570 | 10.1021/jm2003359 | Caco-2 | 2 |
| 21644570 | 10.1021/jm2003359 | Voltage-gated inwardly rectifying potassium channel KCNH2 | 1 |
Data from ChEMBL 36 via Core Engine