Compound Detail
CHEMBL363436
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CCOC(=O)c1cnc2c(c(-c3ccccc3)nn2-c2ccccc2)c1Nc1ccc(O)c(CN(CC)CC)c1
Basic Information
| ChEMBL ID | CHEMBL363436 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XZQQAQOYFRNUOR-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
535.6
MW (Da)
6.56
ALogP
8
HBA
2
HBD
92.5
PSA (Ų)
0.15
QED
2
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Leishmania amazonensis CHEMBL612877 | IC50 | 6.92 | 6.92 | 120.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Leishmania amazonensis | IC50 | = | 120.0 | nM | 6.92 | Tested for growth inhibitory activity against Leishmania amazonensis promastigot... | 15481980 |
| Leishmania amazonensis | IC50 | = | 120.0 | nM | 6.92 | Antileishmanial activity against Leishmania amazonensis | 18625560 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15481980 | 10.1021/jm0401006 | Leishmania amazonensis | 2 |
| 15481980 | 10.1021/jm0401006 | No relevant target | 1 |
| 18625560 | 10.1016/j.bmc.2008.06.042 | Leishmania amazonensis | 1 |
Data from ChEMBL 36 via Core Engine