Compound Detail
CHEMBL3133778
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Basic Information
| ChEMBL ID | CHEMBL3133778 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NMFUCXGAGXSYPY-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
387.2
MW (Da)
3.68
ALogP
2
HBA
2
HBD
61.5
PSA (Ų)
0.49
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.04
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Leishmania donovani CHEMBL367 | IC50 | 5.04 | 5.04 | 9170.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Leishmania donovani | IC50 | = | 9170.0 | nM | 5.04 | Antileishmanial activity against Leishmania donovani promastigotes after 48 hrs ... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1039/C3MD00097D | Leishmania donovani | 2 |
| - | 10.1039/C3MD00097D | Plasmodium falciparum | 2 |
| - | 10.1039/C3MD00097D | LLC-PK1 | 1 |
| - | 10.1039/C3MD00097D | Vero | 1 |
| - | 10.1039/C3MD00097D | HepG2 | 1 |
| 26048785 | 10.1016/j.bmcl.2015.05.034 | Dual specificity tyrosine-phosphorylation-regulated kinase 1A | 1 |
| 26048785 | 10.1016/j.bmcl.2015.05.034 | SH-SY5Y | 1 |
Data from ChEMBL 36 via Core Engine