Compound Detail
CHEMBL2042571
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Basic Information
| ChEMBL ID | CHEMBL2042571 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XFNKYPKGVGOBQY-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
228.2
MW (Da)
3.57
ALogP
3
HBA
0
HBD
56.0
PSA (Ų)
0.58
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.47
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Leishmania donovani CHEMBL367 | IC50 | 4.47 | 4.47 | 33700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Leishmania donovani | IC50 | = | 33700.0 | nM | 4.47 | Antileishmanial activity against Leishmania donovani MHOM/IN/00/DEVI promastigot... | 22608675 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22608675 | 10.1016/j.ejmech.2012.04.029 | Unchecked | 2 |
| 22608675 | 10.1016/j.ejmech.2012.04.029 | Leishmania donovani | 1 |
| 22608675 | 10.1016/j.ejmech.2012.04.029 | J774.A1 | 1 |
| 22608675 | 10.1016/j.ejmech.2012.04.029 | HepG2 | 1 |
Data from ChEMBL 36 via Core Engine