Compound Detail
CHEMBL4851823
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Basic Information
| ChEMBL ID | CHEMBL4851823 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YQPZVFSJQFUJBF-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
373.4
MW (Da)
3.67
ALogP
4
HBA
5
HBD
137.9
PSA (Ų)
0.27
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.41
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trypanosoma brucei rhodesiense CHEMBL612348 | IC50 | 7.41 | 7.41 | 39.0 | 1 |
| L6 CHEMBL614793 | IC50 | 4.96 | 4.96 | 11000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Trypanosoma brucei rhodesiense | IC50 | = | 39.0 | nM | 7.41 | Antiprotozoal activity against long slender blood stream form Trypanosoma brucei... | 36958267 |
| L6 | IC50 | = | 11000.0 | nM | 4.96 | Cytotoxicity against rat L6 cells assessed as reduction in cell viability incuba... | 36958267 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36958267 | 10.1016/j.ejmech.2023.115287 | Trypanosoma brucei rhodesiense | 2 |
| 36958267 | 10.1016/j.ejmech.2023.115287 | ADMET | 2 |
| 30645099 | 10.1021/acs.jmedchem.8b01448 | HOXA9 DNA binding site | 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