Compound Detail
CHEMBL90971
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Basic Information
| ChEMBL ID | CHEMBL90971 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UXYDJDLVMMJKHF-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
226.3
MW (Da)
2.55
ALogP
2
HBA
2
HBD
59.1
PSA (Ų)
0.62
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.03
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trypanosoma brucei rhodesiense CHEMBL612348 | IC50 | 5.03 | 5.03 | 9320.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Trypanosoma brucei rhodesiense | IC50 | = | 9320.0 | nM | 5.03 | Antitrypanosomal activity against Trypanosoma brucei rhodesiense STIB900 after 7... | 23871911 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23871911 | 10.1016/j.ejmech.2013.06.033 | Unchecked | 2 |
| 15109676 | 10.1016/j.bmcl.2004.02.091 | Human immunodeficiency virus 1 | 1 |
| 15109676 | 10.1016/j.bmcl.2004.02.091 | ADMET | 1 |
| 23871911 | 10.1016/j.ejmech.2013.06.033 | L6 | 1 |
| 23871911 | 10.1016/j.ejmech.2013.06.033 | Trypanosoma brucei rhodesiense | 1 |
| 23871911 | 10.1016/j.ejmech.2013.06.033 | Plasmodium falciparum | 1 |
Data from ChEMBL 36 via Core Engine