Compound Detail
CHEMBL3612340
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL3612340 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JGTDDIFYKLEQAT-UHFFFAOYSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
328.8
MW (Da)
3.36
ALogP
5
HBA
1
HBD
69.0
PSA (Ų)
0.78
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 4.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trypanosoma cruzi CHEMBL368 | IC50 | 4.75 | 4.75 | 18000.0 | 1 |
| Trypanosoma brucei rhodesiense CHEMBL612348 | IC50 | 4.58 | 4.58 | 26000.0 | 1 |
| Leishmania donovani CHEMBL367 | IC50 | 4.54 | 4.54 | 29000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Trypanosoma cruzi | IC50 | = | 18000.0 | nM | 4.75 | Antiparasitic activity against amastigote stage of Trypanosoma cruzi Tulahuen C4... | 26344593 |
| Trypanosoma brucei rhodesiense | IC50 | = | 26000.0 | nM | 4.58 | Antiparasitic activity against trypomastigote stage of Trypanosoma brucei rhodes... | 26344593 |
| Leishmania donovani | IC50 | = | 29000.0 | nM | 4.54 | Antiparasitic activity against axenic amastigote stage of Leishmania donovani MH... | 26344593 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26344593 | 10.1016/j.bmc.2015.08.014 | Unchecked | 2 |
| 26344593 | 10.1016/j.bmc.2015.08.014 | Trypanosoma cruzi | 1 |
| 26344593 | 10.1016/j.bmc.2015.08.014 | Trypanosoma brucei rhodesiense | 1 |
| 26344593 | 10.1016/j.bmc.2015.08.014 | Leishmania donovani | 1 |
| 26344593 | 10.1016/j.bmc.2015.08.014 | L6 | 1 |
Data from ChEMBL 36 via Core Engine