Compound Detail
CHEMBL2448742
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Basic Information
| ChEMBL ID | CHEMBL2448742 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VTTSFAQAAYHUOF-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
4
PK Parameters
5
Publications
0
Known Names
Molecular Properties
348.4
MW (Da)
4.24
ALogP
4
HBA
1
HBD
61.9
PSA (Ų)
0.60
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.87
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trypanosoma cruzi CHEMBL368 | IC50 | 7.87 | 7.87 | 13.5 | 1 |
| L6 CHEMBL614793 | IC50 | 4.2 | 4.2 | 63440.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 21.0 | mL.min-1.g-1 | Mus musculus |
| CL | 14.0 | mL.min-1.g-1 | Homo sapiens |
| T1/2 | 2.05 | hr | Homo sapiens |
| T1/2 | 1.35 | hr | Mus musculus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Trypanosoma cruzi | IC50 | = | 13.5 | nM | 7.87 | DNDI: Chagas in Vitro | - |
| L6 | IC50 | = | 63440.0 | nM | 4.2 | DNDI: Cytotoxicity in vitro, against rat skeletal myoblast (L-6) cells | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL2448688 | ADMET | 6 |
| - | 10.6019/CHEMBL2448688 | No relevant target | 4 |
| - | 10.6019/CHEMBL2448688 | Cytochrome P450 3A4 | 3 |
| - | 10.6019/CHEMBL2448688 | Trypanosoma cruzi | 2 |
| - | 10.6019/CHEMBL2448688 | L6 | 1 |
Data from ChEMBL 36 via Core Engine