Compound Detail
CHEMBL1814136
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CC(=N)Nc1ccc(-c2ccc(-c3ccc(NC(C)=N)cc3OC3CCCC3)o2)c(OC2CCCC2)c1
Basic Information
| ChEMBL ID | CHEMBL1814136 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WMJWOISWOGWIRL-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
500.6
MW (Da)
8.07
ALogP
5
HBA
4
HBD
103.4
PSA (Ų)
0.18
QED
2
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.33
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Leishmania amazonensis CHEMBL612877 | IC50 | 5.33 | 5.33 | 4700.0 | 1 |
| Leishmania donovani CHEMBL367 | IC50 | 4.39 | 4.39 | 41000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Leishmania amazonensis | IC50 | = | 4700.0 | nM | 5.33 | Antileishmanial activity against beta-lactamase transfected Leishmania amazonens... | 21741248 |
| Leishmania donovani | IC50 | = | 41000.0 | nM | 4.39 | Antileishmanial activity against Leishmania donovani axenic amastigotes after 3 ... | 21741248 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21741248 | 10.1016/j.bmc.2011.06.026 | Leishmania donovani | 1 |
| 21741248 | 10.1016/j.bmc.2011.06.026 | Leishmania amazonensis | 1 |
Data from ChEMBL 36 via Core Engine