Compound Detail
CHEMBL5395058
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 | CHEMBL5395058 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AMBVMYANOKPCMK-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
8
PK Parameters
3
Publications
0
Known Names
Molecular Properties
367.4
MW (Da)
4.48
ALogP
3
HBA
1
HBD
40.5
PSA (Ų)
0.87
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trypanosoma cruzi CHEMBL368 | IC50 | 7.5 | 7.5 | 31.6 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 485.0 | ng.hr.mL-1 | Mus musculus |
| AUC | 530.0 | ng.hr.mL-1 | Mus musculus |
| CL | 31.49 | mL.min-1.g-1 | Mus musculus |
| CL | 11.51 | mL.min-1.g-1 | Homo sapiens |
| Cmax | 819.29 | nM | Mus musculus |
| T1/2 | 0.07967 | hr | Mus musculus |
| T1/2 | 0.03517 | 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 | = | 31.62 | nM | 7.5 | Antitrypanosomal activity against Trypanosoma cruzi Tulahuen trypomastigotes ass... | 36626662 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36626662 | 10.1021/acs.jmedchem.2c01725 | ADMET | 9 |
| 36626662 | 10.1021/acs.jmedchem.2c01725 | Trypanosoma cruzi | 2 |
| 36626662 | 10.1021/acs.jmedchem.2c01725 | H9c2 | 1 |
Data from ChEMBL 36 via Core Engine