Compound Detail
CHEMBL4791191
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Basic Information
| ChEMBL ID | CHEMBL4791191 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NYLUEJWPUCLGFQ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
398.7
MW (Da)
4.95
ALogP
5
HBA
0
HBD
60.4
PSA (Ų)
0.35
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 4.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Leishmania infantum CHEMBL612848 | EC50 | 4.75 | 4.75 | 17800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Leishmania infantum | EC50 | = | 17800.0 | nM | 4.75 | Antileishmanial activity against Leishmania infantum MHOM/MA/67/ITMAP-263 axenic... | 32795774 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32795774 | 10.1016/j.ejmech.2020.112668 | HepG2 | 1 |
| 32795774 | 10.1016/j.ejmech.2020.112668 | Leishmania donovani | 1 |
| 32795774 | 10.1016/j.ejmech.2020.112668 | Leishmania infantum | 1 |
| 32795774 | 10.1016/j.ejmech.2020.112668 | Unchecked | 1 |
| 32795774 | 10.1016/j.ejmech.2020.112668 | Trypanosoma brucei brucei | 1 |
| 32795774 | 10.1016/j.ejmech.2020.112668 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine