Compound Detail
CHEMBL1275764
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CC(C)Oc1cc(NC(=N)c2ccccn2)ccc1-c1ccc(-c2ccc(NC(=N)c3ccccn3)cc2OC(C)C)o1
Basic Information
| ChEMBL ID | CHEMBL1275764 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QCFKWNGTLZQXRE-UHFFFAOYSA-N |
7
Targets
35
Activities
1
Assay Types
30
PK Parameters
20
Publications
0
Known Names
Molecular Properties
574.7
MW (Da)
7.85
ALogP
7
HBA
4
HBD
129.1
PSA (Ų)
0.10
QED
2
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 35 meas. best 7.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Leishmania major CHEMBL612879 | IC50 | 7.85 | 7.85 | 14.0 | 1 |
| Trypanosoma cruzi CHEMBL368 | IC50 | 7.6 | 6.7433 | 25.0 | 18 |
| Leishmania donovani CHEMBL367 | IC50 | 7.44 | 6.7988 | 36.0 | 8 |
| Leishmania amazonensis CHEMBL612877 | IC50 | 7.06 | 7.06 | 87.0 | 4 |
| Trypanosoma brucei rhodesiense CHEMBL612348 | IC50 | 6.92 | 6.92 | 120.0 | 1 |
| Plasmodium falciparum CHEMBL364 | IC50 | 6.83 | 6.83 | 149.0 | 1 |
| L6 CHEMBL614793 | IC50 | 5.52 | 5.52 | 3000.0 | 2 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 7585.91 | ng.hr.mL-1 | Mus musculus |
| AUC | 5476.8 | ng.hr.mL-1 | Mus musculus |
| AUC | 1453.97 | ng.hr.mL-1 | Mus musculus |
| CL | 13.2 | mL.min-1.kg-1 | Mus musculus |
| CL | 13.1 | mL.min-1.kg-1 | Mus musculus |
| CL | 9.9 | mL.min-1.kg-1 | Mus musculus |
| Cmax | 1760.0 | nM | Mus musculus |
| Cmax | 10410.0 | nM | Mus musculus |
| Cmax | 1090.0 | nM | Mus musculus |
| F | 10.4 | % | Mus musculus |
| T1/2 | 48.0 | hr | Mus musculus |
| T1/2 | 24.0 | hr | Mus musculus |
| T1/2 | 22.0 | hr | Mus musculus |
| T1/2 | 2.0 | hr | Mesocricetus auratus |
| T1/2 | 2.0 | hr | Mesocricetus auratus |
| T1/2 | 0.65 | hr | Mesocricetus auratus |
| T1/2 | 2.0 | hr | Mus musculus |
| T1/2 | 2.0 | hr | Mus musculus |
| T1/2 | 0.4333 | hr | Mus musculus |
| T1/2 | 2.0 | hr | Rattus norvegicus |
| T1/2 | 2.0 | hr | Rattus norvegicus |
| T1/2 | 1.6 | hr | Rattus norvegicus |
| T1/2 | 2.0 | hr | Homo sapiens |
| T1/2 | 2.0 | hr | Homo sapiens |
| T1/2 | 2.0 | hr | Homo sapiens |
| Tmax | 1.0 | hr | Mus musculus |
| Tmax | 0.0833 | hr | Mus musculus |
| Tmax | 0.083 | hr | Mus musculus |
| Vd | 54.0 | L.kg-1 | Mus musculus |
| Vd | 15.0 | L.kg-1 | Mus musculus |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
Data from ChEMBL 36 via Core Engine