Compound Detail
CHEMBL1922429
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 | CHEMBL1922429 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LWTUZIMLIKOKDI-UHFFFAOYSA-N |
| Parent Compound | CHEMBL1963336 |
| Active Moiety | CHEMBL1963336 |
4
Targets
7
Activities
1
Assay Types
0
PK Parameters
11
Publications
0
Known Names
Molecular Properties
331.8
MW (Da)
3.50
ALogP
6
HBA
1
HBD
85.9
PSA (Ų)
0.42
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 5.98
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trypanosoma cruzi CHEMBL368 | IC50 | 5.98 | 5.98 | 1040.0 | 2 |
| Trypanosoma brucei rhodesiense CHEMBL612348 | IC50 | 5.86 | 5.855 | 1397.0 | 2 |
| L6 CHEMBL614793 | IC50 | 4.6 | 4.6 | 24950.0 | 2 |
| Leishmania donovani CHEMBL367 | IC50 | 4.26 | 4.26 | 54350.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Trypanosoma cruzi | IC50 | = | 1041.0 | nM | 5.98 | Antitrypanosomal activity against blood stream form of Trypanosoma cruzi Tulahue... | 22023653 |
| Trypanosoma cruzi | IC50 | = | 1040.0 | nM | 5.98 | Antitrypanosomal activity against Trypanosoma cruzi Tulahuen C4 amastigotes infe... | 28763645 |
| Trypanosoma brucei rhodesiense | IC50 | = | 1397.0 | nM | 5.86 | Antitrypanosomal activity against blood stream form of Trypanosoma brucei rhodes... | 22023653 |
| Trypanosoma brucei rhodesiense | IC50 | = | 1400.0 | nM | 5.85 | Antitrypanosomal activity against blood stream form of Trypanosoma brucei rhodes... | 28763645 |
| L6 | IC50 | = | 24950.0 | nM | 4.6 | Cytotoxicity against rat L6 cells after 72 hrs by alamar blue assay | 22023653 |
| L6 | IC50 | = | 25000.0 | nM | 4.6 | Cytotoxicity against rat L6 cells assessed as reduction in cell viability after ... | 28763645 |
| Leishmania donovani | IC50 | = | 54350.0 | nM | 4.26 | Antileishmanial activity against Leishmania donovani MHOM-ET-67/L82 amastigotes ... | 22023653 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22023653 | 10.1021/jm201215n | Unchecked | 3 |
| 28763645 | 10.1016/j.ejmech.2017.07.060 | Unchecked | 2 |
| 28763645 | 10.1016/j.ejmech.2017.07.060 | Trypanosoma cruzi | 2 |
| 28763645 | 10.1016/j.ejmech.2017.07.060 | Mycobacterium tuberculosis | 2 |
| 22023653 | 10.1021/jm201215n | Trypanosoma brucei rhodesiense | 1 |
| 22023653 | 10.1021/jm201215n | Trypanosoma cruzi | 1 |
| 22023653 | 10.1021/jm201215n | Leishmania donovani | 1 |
| 22023653 | 10.1021/jm201215n | L6 | 1 |
| 28763645 | 10.1016/j.ejmech.2017.07.060 | Trypanosoma brucei rhodesiense | 1 |
| 28763645 | 10.1016/j.ejmech.2017.07.060 | L6 | 1 |
| 28763645 | 10.1016/j.ejmech.2017.07.060 | Vero | 1 |
Data from ChEMBL 36 via Core Engine