Compound Detail
CHEMBL1683021
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Basic Information
| ChEMBL ID | CHEMBL1683021 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UZJXFKKOVXHTAZ-HOTGVXAUSA-N |
4
Targets
5
Activities
1
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
325.2
MW (Da)
4.89
ALogP
3
HBA
0
HBD
27.1
PSA (Ų)
0.80
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 5.87
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trypanosoma cruzi CHEMBL368 | IC50 | 5.87 | 5.87 | 1360.0 | 1 |
| Leishmania donovani CHEMBL367 | IC50 | 4.89 | 4.85 | 12800.0 | 2 |
| Leishmania infantum CHEMBL612848 | IC50 | 4.79 | 4.79 | 16230.0 | 1 |
| Trypanosoma brucei CHEMBL612849 | IC50 | 4.64 | 4.64 | 22870.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Trypanosoma cruzi | IC50 | = | 1360.0 | nM | 5.87 | AntiTrypanosoma cruzi activity IC50 (uM) | - |
| Leishmania donovani | IC50 | = | 12800.0 | nM | 4.89 | AntiLeishmania activity L. donovani (macrophages) IC50 (uM) | - |
| Leishmania donovani | IC50 | = | 15600.0 | nM | 4.81 | AntiLeishmania activity L. donovani (axenic) IC50 (uM) | - |
| Leishmania infantum | IC50 | = | 16230.0 | nM | 4.79 | AntiLeishmania activity L. infantum (macrophages) IC50 (uM) | - |
| Trypanosoma brucei | IC50 | = | 22870.0 | nM | 4.64 | AntiTrypanosoma brucei activity T. b. rhodesiense IC50 (uM) | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL3832761 | Trypanosoma brucei | 2 |
| - | 10.6019/CHEMBL3832761 | Leishmania donovani | 2 |
| 21295472 | 10.1016/j.bmcl.2011.01.026 | Leishmania donovani | 2 |
| - | 10.6019/CHEMBL3832761 | Leishmania | 1 |
| - | 10.6019/CHEMBL4513149 | Staphylococcus aureus | 1 |
| - | 10.6019/CHEMBL4513149 | Pseudomonas aeruginosa | 1 |
| - | 10.6019/CHEMBL4513149 | Klebsiella pneumoniae | 1 |
| - | 10.6019/CHEMBL4513149 | Escherichia coli | 1 |
| - | 10.6019/CHEMBL4513149 | Cryptococcus neoformans | 1 |
| - | 10.6019/CHEMBL4513149 | Candida albicans | 1 |
| - | 10.6019/CHEMBL4513101 | Naegleria gruberi | 1 |
| - | 10.6019/CHEMBL3987221 | Porphobilinogen deaminase | 1 |
| - | 10.6019/CHEMBL3987221 | Ferrochelatase, mitochondrial | 1 |
| - | 10.6019/CHEMBL3832761 | HepG2 | 1 |
| - | 10.6019/CHEMBL3832761 | Leishmania infantum | 1 |
| - | 10.6019/CHEMBL3832761 | Trypanosoma cruzi | 1 |
| - | 10.6019/CHEMBL3832761 | NON-PROTEIN TARGET | 1 |
| - | 10.6019/CHEMBL3832761 | MRC5 | 1 |
| - | 10.6019/CHEMBL3832761 | L6 | 1 |
| 21295472 | 10.1016/j.bmcl.2011.01.026 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine