Compound Detail
CHEMBL62071
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Basic Information
| ChEMBL ID | CHEMBL62071 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LXJNJISEUJIGFP-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
10
Publications
0
Known Names
Molecular Properties
344.4
MW (Da)
3.06
ALogP
4
HBA
5
HBD
141.6
PSA (Ų)
0.29
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.02
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 7.02 | 7.02 | 95.8 | 1 |
| Trypanosoma brucei rhodesiense CHEMBL612348 | IC50 | 6.91 | 6.91 | 122.0 | 1 |
| L6 CHEMBL614793 | IC50 | 5.0 | 5.0 | 10100.0 | 1 |
| B16 CHEMBL381 | IC50 | 4.37 | 4.37 | 43200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 95.8 | nM | 7.02 | Antiprotozoal activity against chloroquine resistant Plasmodium falciparum K1 in... | 36958267 |
| Trypanosoma brucei rhodesiense | IC50 | = | 122.0 | nM | 6.91 | Antiprotozoal activity against long slender blood stream form Trypanosoma brucei... | 36958267 |
| L6 | IC50 | = | 10100.0 | nM | 5.0 | Cytotoxicity against rat L6 cells assessed as reduction in cell viability incuba... | 36958267 |
| B16 | IC50 | = | 43200.0 | nM | 4.37 | Drug concentration required to inhibit B16 cell growth by 50% after 72 hours of ... | 11985467 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30645099 | 10.1021/acs.jmedchem.8b01448 | HOXA9 DNA binding site | 2 |
| 36958267 | 10.1016/j.ejmech.2023.115287 | Trypanosoma brucei rhodesiense | 2 |
| 36958267 | 10.1016/j.ejmech.2023.115287 | ADMET | 2 |
| 11985467 | 10.1021/jm010539n | B16 | 1 |
| 9748362 | 10.1021/jm980230c | Rattus norvegicus | 1 |
| 9748362 | 10.1021/jm980230c | ADMET | 1 |
| 30645099 | 10.1021/acs.jmedchem.8b01448 | ADMET | 1 |
| 36958267 | 10.1016/j.ejmech.2023.115287 | AT rich DNA | 1 |
| 36958267 | 10.1016/j.ejmech.2023.115287 | Plasmodium falciparum | 1 |
| 36958267 | 10.1016/j.ejmech.2023.115287 | L6 | 1 |
Data from ChEMBL 36 via Core Engine