Compound Detail
CHEMBL4859795
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 | CHEMBL4859795 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SVIGSIATSUJDAM-TWGQIWQCSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
277.2
MW (Da)
4.34
ALogP
2
HBA
0
HBD
18.5
PSA (Ų)
0.51
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.81
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Leishmania donovani CHEMBL367 | IC50 | 5.81 | 5.14 | 1550.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Leishmania donovani | IC50 | = | 1550.0 | nM | 5.81 | Antileishmanial activity against axenic amastigote form of Leishmania donovani L... | 34116159 |
| Leishmania donovani | IC50 | = | 33560.0 | nM | 4.47 | Antileishmanial activity against intramacrophage form of Leishmania donovani LV9... | 34116159 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34116159 | 10.1016/j.bmcl.2021.128196 | Leishmania donovani | 2 |
| 34116159 | 10.1016/j.bmcl.2021.128196 | ADMET | 2 |
| 34116159 | 10.1016/j.bmcl.2021.128196 | Candida albicans | 1 |
| 34116159 | 10.1016/j.bmcl.2021.128196 | Aspergillus fumigatus | 1 |
| 34116159 | 10.1016/j.bmcl.2021.128196 | Plasmodium falciparum | 1 |
| 34116159 | 10.1016/j.bmcl.2021.128196 | HUVEC | 1 |
Data from ChEMBL 36 via Core Engine