Compound Detail
CHEMBL3400775
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Basic Information
| ChEMBL ID | CHEMBL3400775 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VVLQVZTYWZIAEW-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
269.1
MW (Da)
2.20
ALogP
3
HBA
1
HBD
76.0
PSA (Ų)
0.64
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.26
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trypanosoma brucei brucei CHEMBL612851 | IC50 | 5.26 | 5.26 | 5500.0 | 1 |
| Leishmania donovani CHEMBL367 | IC50 | 5.02 | 5.02 | 9600.0 | 1 |
| Leishmania infantum CHEMBL612848 | IC50 | 4.69 | 4.69 | 20300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Trypanosoma brucei brucei | IC50 | = | 5500.0 | nM | 5.26 | Antitrypanosomal activity against trypomastigote stage of Trypanosoma brucei bru... | 29885575 |
| Leishmania donovani | IC50 | = | 9600.0 | nM | 5.02 | Antileishmanial activity against promastigote stage of Leishmania donovani MHOM/... | 25846065 |
| Leishmania infantum | IC50 | = | 20300.0 | nM | 4.69 | Antileishmanial activity against axenic amastigote stage of Leishmania infantum ... | 29885575 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25846065 | 10.1016/j.bmc.2015.03.064 | HepG2 | 1 |
| 25846065 | 10.1016/j.bmc.2015.03.064 | Leishmania donovani | 1 |
| 29885575 | 10.1016/j.ejmech.2018.06.001 | No relevant target | 1 |
| 29885575 | 10.1016/j.ejmech.2018.06.001 | Leishmania infantum | 1 |
| 29885575 | 10.1016/j.ejmech.2018.06.001 | HepG2 | 1 |
| 29885575 | 10.1016/j.ejmech.2018.06.001 | Trypanosoma brucei brucei | 1 |
Data from ChEMBL 36 via Core Engine