Compound Detail
CHEMBL4862097
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Basic Information
| ChEMBL ID | CHEMBL4862097 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ATYLQVGTTXSHRO-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
331.4
MW (Da)
3.11
ALogP
4
HBA
4
HBD
121.9
PSA (Ų)
0.42
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trypanosoma brucei rhodesiense CHEMBL612348 | IC50 | 7.96 | 7.96 | 11.0 | 1 |
| L6 CHEMBL614793 | IC50 | 5.68 | 5.68 | 2100.0 | 1 |
| Plasmodium falciparum CHEMBL364 | IC50 | 5.03 | 5.03 | 9400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Trypanosoma brucei rhodesiense | IC50 | = | 11.0 | nM | 7.96 | Antitrypanosomal activity against Trypanosoma brucei rhodesiense STIB900 measure... | 34146914 |
| L6 | IC50 | = | 2100.0 | nM | 5.68 | Cytotoxicity against rat L6 cells by Alamar blue assay | 34146914 |
| Plasmodium falciparum | IC50 | = | 9400.0 | nM | 5.03 | Antiplasmodial activity against chloroquine and pyrimethamine resistant Plasmodi... | 34146914 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34146914 | 10.1016/j.ejmech.2021.113625 | Poly(dA-dT)oligonucleotide | 2 |
| 34146914 | 10.1016/j.ejmech.2021.113625 | Trypanosoma brucei rhodesiense | 2 |
| 34146914 | 10.1016/j.ejmech.2021.113625 | ADMET | 2 |
| 34146914 | 10.1016/j.ejmech.2021.113625 | L6 | 1 |
| 34146914 | 10.1016/j.ejmech.2021.113625 | Plasmodium falciparum | 1 |
Data from ChEMBL 36 via Core Engine