Compound Detail
CHEMBL3137390
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Basic Information
| ChEMBL ID | CHEMBL3137390 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IZRBWBHTBCWWHX-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
2
PK Parameters
6
Publications
0
Known Names
Molecular Properties
461.9
MW (Da)
4.02
ALogP
5
HBA
0
HBD
62.2
PSA (Ų)
0.59
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| 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 | 252.5 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 56.0 | mL.min-1.g-1 | Homo sapiens |
| T1/2 | 0.5167 | hr | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Trypanosoma cruzi | IC50 | = | 252.5 | nM | 6.6 | DNDI: Chagas in vitro | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL3137386 | No relevant target | 4 |
| - | 10.6019/CHEMBL3137386 | ADMET | 3 |
| - | 10.6019/CHEMBL3137386 | Trypanosoma cruzi | 2 |
| - | 10.6019/CHEMBL3137386 | Cytochrome P450 3A4 | 1 |
| - | 10.6019/CHEMBL3137386 | Trypanosoma brucei rhodesiense | 1 |
| - | 10.6019/CHEMBL3137386 | L6 | 1 |
Data from ChEMBL 36 via Core Engine