Compound Detail
CHEMBL3330221
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Basic Information
| ChEMBL ID | CHEMBL3330221 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XBTCKGFYJDGXOC-MFKMUULPSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
313.3
MW (Da)
3.64
ALogP
4
HBA
2
HBD
54.6
PSA (Ų)
0.89
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.34
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Leishmania infantum CHEMBL612848 | IC50 | 4.34 | 4.34 | 45900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Leishmania infantum | IC50 | = | 45900.0 | nM | 4.34 | Antiparasitic activity against promastigote stage of Leishmania infantum infecte... | 25173828 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25173828 | 10.1016/j.ejmech.2014.08.055 | Trypanosoma cruzi | 2 |
| 25173828 | 10.1016/j.ejmech.2014.08.055 | Unchecked | 2 |
| 25173828 | 10.1016/j.ejmech.2014.08.055 | Leishmania infantum | 2 |
| 25173828 | 10.1016/j.ejmech.2014.08.055 | Vero | 1 |
| 25173828 | 10.1016/j.ejmech.2014.08.055 | THP-1 | 1 |
Data from ChEMBL 36 via Core Engine