Compound Detail
CHEMBL58173
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL58173 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VOFBXZAWHLGYKW-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
356.4
MW (Da)
3.31
ALogP
5
HBA
2
HBD
61.9
PSA (Ų)
0.75
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.61
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trypanosoma brucei rhodesiense CHEMBL612348 | IC50 | 6.61 | 6.61 | 245.0 | 1 |
| Trypanosoma brucei brucei CHEMBL612851 | IC50 | 6.6 | 6.6 | 251.0 | 1 |
| B16 CHEMBL381 | IC50 | 5.96 | 5.96 | 1100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Trypanosoma brucei rhodesiense | IC50 | = | 245.0 | nM | 6.61 | Antitrypanosomal activity against Trypanosoma brucei rhodesiense STIB900 after 7... | 17517831 |
| Trypanosoma brucei brucei | IC50 | = | 251.0 | nM | 6.6 | Antitrypanosomal activity against Trypanosoma brucei brucei S427 after 72 hrs | 17517831 |
| B16 | IC50 | = | 1100.0 | nM | 5.96 | Drug concentration required to inhibit B16 cell growth by 50% after 72 hours of ... | 11985467 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17517831 | 10.1128/aac.00005-07 | Unchecked | 3 |
| 11985467 | 10.1021/jm010539n | B16 | 1 |
| 17517831 | 10.1128/aac.00005-07 | Trypanosoma brucei rhodesiense | 1 |
| 17517831 | 10.1128/aac.00005-07 | Trypanosoma brucei brucei | 1 |
| 20153561 | 10.1016/j.ejmech.2010.01.047 | Nucleic Acid | 1 |
Data from ChEMBL 36 via Core Engine