Compound Detail
CHEMBL5169813
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
CCc1cc2c3cccn3c3cc(C)c(C)cc3[n+]2nc1CC.Cc1cc(C)c(S(=O)(=O)[O-])c(C)c1
Basic Information
| ChEMBL ID | CHEMBL5169813 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ASUFXMUDVJNOEU-UHFFFAOYSA-M |
| Parent Compound | CHEMBL5221262 |
| Active Moiety | CHEMBL5221262 |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
304.4
MW (Da)
3.97
ALogP
2
HBA
0
HBD
21.4
PSA (Ų)
0.41
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 7.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Leishmania infantum CHEMBL612848 | EC50 | 7.1 | 6.425 | 80.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Leishmania infantum | EC50 | = | 80.0 | nM | 7.1 | Leishmanicidal activity against axenic amastigote stage of Leishmania infantum M... | 34695777 |
| Leishmania infantum | EC50 | = | 1780.0 | nM | 5.75 | Leishmanicidal activity against GFP-expressing axenic amastigote stage of Leishm... | 34695777 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34695777 | 10.1016/j.ejmech.2021.113915 | Leishmania infantum | 2 |
| 34695777 | 10.1016/j.ejmech.2021.113915 | THP-1 | 1 |
| 34695777 | 10.1016/j.ejmech.2021.113915 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine