Compound Detail
CHEMBL463156
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Basic Information
| ChEMBL ID | CHEMBL463156 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OWNRDLYPIYHOQK-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
372.4
MW (Da)
3.50
ALogP
7
HBA
0
HBD
76.4
PSA (Ų)
0.66
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.43
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Leishmania amazonensis CHEMBL612877 | IC50 | 4.43 | 4.43 | 37170.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Leishmania amazonensis | IC50 | = | 37170.0 | nM | 4.43 | Leishmanicidal activity against promastigote stage of Leishmania amazonensis MHO... | 25659770 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25659770 | 10.1016/j.ejmech.2015.01.012 | L6 | 2 |
| 25659770 | 10.1016/j.ejmech.2015.01.012 | Trypanosoma brucei gambiense | 2 |
| 25659770 | 10.1016/j.ejmech.2015.01.012 | B16 | 1 |
| 25659770 | 10.1016/j.ejmech.2015.01.012 | NON-PROTEIN TARGET | 1 |
| 25659770 | 10.1016/j.ejmech.2015.01.012 | Leishmania amazonensis | 1 |
| 25659770 | 10.1016/j.ejmech.2015.01.012 | Plasmodium falciparum | 1 |
Data from ChEMBL 36 via Core Engine