Compound Detail
CHEMBL5413185
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Basic Information
| ChEMBL ID | CHEMBL5413185 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QHMYYSZDAFKICE-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
7
PK Parameters
3
Publications
0
Known Names
Molecular Properties
399.4
MW (Da)
3.16
ALogP
4
HBA
1
HBD
74.7
PSA (Ų)
0.86
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trypanosoma cruzi CHEMBL368 | IC50 | 6.6 | 6.6 | 251.2 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 208.0 | ng.hr.mL-1 | Mus musculus |
| CL | 20.0 | mL.min-1.g-1 | Mus musculus |
| CL | 12.5 | mL.min-1.g-1 | Homo sapiens |
| Cmax | 438.17 | nM | Mus musculus |
| T1/2 | 0.07317 | hr | Mus musculus |
| T1/2 | 0.05533 | hr | Homo sapiens |
| Tmax | 0.5 | hr | Mus musculus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Trypanosoma cruzi | IC50 | = | 251.19 | nM | 6.6 | Antitrypanosomal activity against Trypanosoma cruzi Tulahuen trypomastigotes ass... | 36626662 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36626662 | 10.1021/acs.jmedchem.2c01725 | ADMET | 7 |
| 36626662 | 10.1021/acs.jmedchem.2c01725 | H9c2 | 1 |
| 36626662 | 10.1021/acs.jmedchem.2c01725 | Trypanosoma cruzi | 1 |
Data from ChEMBL 36 via Core Engine