Compound Detail
CHEMBL5187467
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Basic Information
| ChEMBL ID | CHEMBL5187467 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZFZPMMQEZSRAIC-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
1
PK Parameters
4
Publications
0
Known Names
Molecular Properties
484.0
MW (Da)
4.41
ALogP
4
HBA
1
HBD
69.7
PSA (Ų)
0.56
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.8
IC50 1 meas. best 4.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trypanosoma cruzi CHEMBL368 | EC50 | 6.8 | 6.8 | 158.5 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.7 | 4.7 | 19952.6 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 50.0 | mL.min-1.g-1 | Mus musculus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Trypanosoma cruzi | EC50 | = | 158.49 | nM | 6.8 | Antitrypanosomal activity against intracellularTrypanosoma cruzi amastigote | 35594652 |
| Unchecked | IC50 | = | 19952.62 | nM | 4.7 | Inhibition of Trypanosoma cruzi CYP51 | 35594652 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35594652 | 10.1016/j.ejmech.2022.114421 | Trypanosoma cruzi | 3 |
| 35594652 | 10.1016/j.ejmech.2022.114421 | ADMET | 1 |
| 35594652 | 10.1016/j.ejmech.2022.114421 | No relevant target | 1 |
| 35594652 | 10.1016/j.ejmech.2022.114421 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine