Compound Detail
CHEMBL4530530
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Basic Information
| ChEMBL ID | CHEMBL4530530 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WRRNJSLYKHXEAM-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
237.3
MW (Da)
3.10
ALogP
2
HBA
0
HBD
29.4
PSA (Ų)
0.68
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Leishmania amazonensis CHEMBL612877 | IC50 | 7.6 | 7.6 | 25.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Leishmania amazonensis | IC50 | = | 25.0 | nM | 7.6 | Antileishmanial activity against Leishmania amazonensis MHOM/BR/76/LTB-012 axeni... | 30342363 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30342363 | 10.1016/j.ejmech.2018.10.022 | Leishmania amazonensis | 1 |
Data from ChEMBL 36 via Core Engine