Compound Detail
CHEMBL4078293
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Basic Information
| ChEMBL ID | CHEMBL4078293 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IXUWKDINJWESQG-SNVBAGLBSA-N |
9
Targets
24
Activities
1
Assay Types
20
PK Parameters
20
Publications
0
Known Names
Molecular Properties
345.2
MW (Da)
2.53
ALogP
7
HBA
0
HBD
88.7
PSA (Ų)
0.62
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 24 meas. best 6.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trypanosoma cruzi CHEMBL368 | IC50 | 6.82 | 6.38 | 150.0 | 3 |
| Leishmania donovani CHEMBL367 | IC50 | 6.72 | 6.3371 | 190.0 | 7 |
| Leishmania panamensis CHEMBL612882 | IC50 | 6.47 | 6.47 | 340.0 | 1 |
| Leishmania infantum CHEMBL612848 | IC50 | 6.29 | 5.9375 | 510.0 | 8 |
| Leishmania mexicana CHEMBL612880 | IC50 | 5.93 | 5.93 | 1170.0 | 1 |
| Leishmania tropica CHEMBL612881 | IC50 | 5.8 | 5.8 | 1570.0 | 1 |
| Leishmania major CHEMBL612879 | IC50 | 5.63 | 5.63 | 2340.0 | 1 |
| Leishmania aethiopica CHEMBL612651 | IC50 | 5.5 | 5.5 | 3170.0 | 1 |
| Leishmania amazonensis CHEMBL612877 | IC50 | 5.33 | 5.33 | 4680.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 272000.0 | ng.hr.mL-1 | Mus musculus |
| AUC | 1510.0 | ng.hr.mL-1 | Rattus norvegicus |
| AUC | 80600.0 | ng.hr.mL-1 | Rattus norvegicus |
| AUC | 420.0 | ng.hr.mL-1 | Mesocricetus auratus |
| AUC | 11200.0 | ng.hr.mL-1 | Mesocricetus auratus |
| CL | 11.0 | mL.min-1.kg-1 | Rattus norvegicus |
| CL | 81.0 | mL.min-1.kg-1 | Mesocricetus auratus |
| Cmax | 60829.01 | nM | Mus musculus |
| Cmax | 15062.42 | nM | Rattus norvegicus |
| Cmax | 6082.9 | nM | Mesocricetus auratus |
| F | 100.0 | % | Rattus norvegicus |
| F | 100.0 | % | Mesocricetus auratus |
| T1/2 | 7.8 | hr | Mus musculus |
| T1/2 | 3.0 | hr | Rattus norvegicus |
| t1/2 | - | - | Rattus norvegicus |
| T1/2 | 1.4 | hr | Mesocricetus auratus |
| T1/2 | 2.2 | hr | Mesocricetus auratus |
| Tmax | 5.3 | hr | Mus musculus |
| Tmax | 6.7 | hr | Rattus norvegicus |
| Tmax | 3.3 | hr | Mesocricetus auratus |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
Data from ChEMBL 36 via Core Engine