Compound Detail
CHEMBL4086745
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 | CHEMBL4086745 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GYIGCFMFXUNFQO-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
304.3
MW (Da)
2.35
ALogP
4
HBA
0
HBD
80.5
PSA (Ų)
0.64
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.97
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trypanosoma cruzi CHEMBL368 | IC50 | 5.97 | 5.97 | 1080.0 | 1 |
| L6 CHEMBL614793 | IC50 | 4.82 | 4.82 | 15100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Trypanosoma cruzi | IC50 | = | 1080.0 | nM | 5.97 | Antiparasitic activity against Trypanosoma cruzi Tulahuen C4 intracellular amast... | 28789893 |
| L6 | IC50 | = | 15100.0 | nM | 4.82 | Cytotoxicity against rat L6 cells assessed as cell viability after 72 hrs by Ala... | 28789893 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28789893 | 10.1016/j.bmcl.2017.07.081 | Trypanosoma cruzi | 3 |
| 28789893 | 10.1016/j.bmcl.2017.07.081 | Leishmania donovani | 2 |
| 28789893 | 10.1016/j.bmcl.2017.07.081 | Plasmodium falciparum | 2 |
| 28789893 | 10.1016/j.bmcl.2017.07.081 | Trypanosoma brucei rhodesiense | 2 |
| 28789893 | 10.1016/j.bmcl.2017.07.081 | L6 | 1 |
| 28789893 | 10.1016/j.bmcl.2017.07.081 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine