Compound Detail
CHEMBL1922426
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Basic Information
| ChEMBL ID | CHEMBL1922426 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NHRLMSIFONYROM-UHFFFAOYSA-N |
| Parent Compound | CHEMBL1963335 |
| Active Moiety | CHEMBL1963335 |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
426.9
MW (Da)
4.44
ALogP
8
HBA
1
HBD
108.0
PSA (Ų)
0.19
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.87
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trypanosoma brucei rhodesiense CHEMBL612348 | IC50 | 6.87 | 6.87 | 134.0 | 1 |
| Trypanosoma cruzi CHEMBL368 | IC50 | 6.82 | 6.82 | 151.0 | 1 |
| L6 CHEMBL614793 | IC50 | 5.0 | 5.0 | 9935.0 | 1 |
| Leishmania donovani CHEMBL367 | IC50 | 4.99 | 4.99 | 10150.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Trypanosoma brucei rhodesiense | IC50 | = | 134.0 | nM | 6.87 | Antitrypanosomal activity against blood stream form of Trypanosoma brucei rhodes... | 22023653 |
| Trypanosoma cruzi | IC50 | = | 151.0 | nM | 6.82 | Antitrypanosomal activity against blood stream form of Trypanosoma cruzi Tulahue... | 22023653 |
| L6 | IC50 | = | 9935.0 | nM | 5.0 | Cytotoxicity against rat L6 cells after 72 hrs by alamar blue assay | 22023653 |
| Leishmania donovani | IC50 | = | 10150.0 | nM | 4.99 | Antileishmanial activity against Leishmania donovani MHOM-ET-67/L82 amastigotes ... | 22023653 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22023653 | 10.1021/jm201215n | Unchecked | 3 |
| 22023653 | 10.1021/jm201215n | Trypanosoma cruzi | 2 |
| 22023653 | 10.1021/jm201215n | Trypanosoma brucei rhodesiense | 1 |
| 22023653 | 10.1021/jm201215n | Leishmania donovani | 1 |
| 22023653 | 10.1021/jm201215n | L6 | 1 |
| 22023653 | 10.1021/jm201215n | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine