Compound Detail
CHEMBL4644592
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Basic Information
| ChEMBL ID | CHEMBL4644592 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UKDYSCMOWNKKPH-UHFFFAOYSA-N |
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
418.4
MW (Da)
5.47
ALogP
4
HBA
2
HBD
63.4
PSA (Ų)
0.34
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 10.31
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 10.31 | 9.5225 | 0.0 | 4 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 0.049 | nM | 10.31 | Antimalarial activity against multidrug resistant Plasmodium falciparum D6 infec... | 32390431 |
| Plasmodium falciparum | IC50 | = | 0.12 | nM | 9.92 | Antimalarial activity against multidrug resistant Plasmodium falciparum Dd2 infe... | 32390431 |
| Plasmodium falciparum | IC50 | = | 0.6 | nM | 9.22 | Antimalarial activity against multidrug resistant Plasmodium falciparum 7G8 infe... | 32390431 |
| Plasmodium falciparum | IC50 | = | 2.3 | nM | 8.64 | Antimalarial activity against multidrug resistant Plasmodium falciparum Tm90-C2B... | 32390431 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32390431 | 10.1021/acs.jmedchem.0c00539 | Plasmodium falciparum | 4 |
| 32390431 | 10.1021/acs.jmedchem.0c00539 | Plasmodium yoelii | 2 |
| 32390431 | 10.1021/acs.jmedchem.0c00539 | HepG2 | 1 |
| 32390431 | 10.1021/acs.jmedchem.0c00539 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine