Compound Detail
CHEMBL1863499
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Basic Information
| ChEMBL ID | CHEMBL1863499 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZUWWRVWVHVVPND-UHFFFAOYSA-N |
3
Targets
5
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
371.8
MW (Da)
4.95
ALogP
3
HBA
1
HBD
42.4
PSA (Ų)
0.69
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 9.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trypanosoma cruzi CHEMBL368 | IC50 | 9.0 | 8.945 | 1.0 | 2 |
| Cytochrome P450 3A4/3A5 CHEMBL2111472 | IC50 | 5.96 | 5.96 | 1100.0 | 1 |
| L6 CHEMBL614793 | IC50 | 4.25 | 4.25 | 56000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Trypanosoma cruzi | IC50 | = | 1.0 | nM | 9.0 | Antitrypanosomal activity against trypomastigotes of Trypanosoma cruzi Tulahuen ... | 22536986 |
| Trypanosoma cruzi | IC50 | = | 1.3 | nM | 8.89 | DNDI: Inhibition of Chagas Disease parasite Trypanosoma cruzi (Tulahuen LacZ, Cl... | - |
| Cytochrome P450 3A4/3A5 | IC50 | = | 1100.0 | nM | 5.96 | Inhibition of CYP3A4/5 in human liver microsomes | 22536986 |
| L6 | IC50 | = | 56020.0 | nM | 4.25 | DNDI: Cytotoxicity against L-6 rat myoblasts from skeletal muscle cells | - |
| L6 | IC50 | = | 56000.0 | nM | 4.25 | Cytotoxicity against rat L6 cells after 72 hrs by Alamar Blue assay | 22536986 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL1862790 | Trypanosoma cruzi | 2 |
| - | 10.6019/CHEMBL1862790 | L6 | 1 |
| 22536986 | 10.1021/jm2015809 | Cytochrome P450 3A4/3A5 | 1 |
| 22536986 | 10.1021/jm2015809 | No relevant target | 1 |
| 22536986 | 10.1021/jm2015809 | L6 | 1 |
| 22536986 | 10.1021/jm2015809 | Trypanosoma cruzi | 1 |
Data from ChEMBL 36 via Core Engine