Compound Detail
CHEMBL3085899
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 | CHEMBL3085899 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HUSRJUKQWGLVQG-UHFFFAOYSA-N |
4
Targets
6
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
291.3
MW (Da)
2.50
ALogP
3
HBA
2
HBD
74.8
PSA (Ų)
0.78
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 5.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trypanosoma cruzi CHEMBL368 | IC50 | 5.89 | 5.215 | 1300.0 | 2 |
| Leishmania braziliensis CHEMBL612878 | IC50 | 4.05 | 4.05 | 88800.0 | 1 |
| Leishmania guyanensis CHEMBL612793 | IC50 | 4.02 | 4.02 | 96300.0 | 1 |
| Leishmania infantum CHEMBL612848 | IC50 | 4.02 | 4.02 | 94800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Trypanosoma cruzi | IC50 | = | 1300.0 | nM | 5.89 | Trypanocidal activity against extracellular epimastigote stage of Trypanosoma cr... | 24151871 |
| Trypanosoma cruzi | IC50 | = | 28500.0 | nM | 4.54 | Trypanocidal activity against intracellular amastigote stage of Trypanosoma cruz... | 24151871 |
| Leishmania braziliensis | IC50 | = | 88800.0 | nM | 4.05 | Leishmanicidal activity against extracellular promastigote stage of Leishmania b... | 24151871 |
| Leishmania guyanensis | IC50 | = | 96300.0 | nM | 4.02 | Leishmanicidal activity against extracellular promastigote stage of Leishmania g... | 24151871 |
| Leishmania infantum | IC50 | = | 94800.0 | nM | 4.02 | Leishmanicidal activity against extracellular promastigote stage of Leishmania i... | 24151871 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24151871 | 10.1021/jm4006127 | Trypanosoma cruzi | 5 |
| 24151871 | 10.1021/jm4006127 | Leishmania amazonensis | 2 |
| 24151871 | 10.1021/jm4006127 | Leishmania infantum | 2 |
| 24151871 | 10.1021/jm4006127 | Unchecked | 1 |
| 24151871 | 10.1021/jm4006127 | ADMET | 1 |
| 24151871 | 10.1021/jm4006127 | J774 | 1 |
| 24151871 | 10.1021/jm4006127 | Leishmania guyanensis | 1 |
| 24151871 | 10.1021/jm4006127 | Leishmania braziliensis | 1 |
Data from ChEMBL 36 via Core Engine