Compound Detail
CHEMBL4072114
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Basic Information
| ChEMBL ID | CHEMBL4072114 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JXGRFUGWGBDYAQ-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
307.4
MW (Da)
2.41
ALogP
3
HBA
5
HBD
124.8
PSA (Ų)
0.38
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trypanosoma brucei rhodesiense CHEMBL612348 | IC50 | 8.22 | 8.22 | 6.0 | 1 |
| L6 CHEMBL614793 | IC50 | 4.53 | 4.53 | 29600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Trypanosoma brucei rhodesiense | IC50 | = | 6.0 | nM | 8.22 | Antitrypanosomal activity against Trypanosoma brucei rhodesiense STIB900 bloodst... | 28152428 |
| L6 | IC50 | = | 29600.0 | nM | 4.53 | Cytotoxicity against rat L6 cells | 28152428 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28152428 | 10.1016/j.ejmech.2017.01.037 | Unchecked | 3 |
| 28152428 | 10.1016/j.ejmech.2017.01.037 | Trypanosoma brucei rhodesiense | 3 |
| 28152428 | 10.1016/j.ejmech.2017.01.037 | L6 | 1 |
Data from ChEMBL 36 via Core Engine