Compound Detail
CHEMBL5595777
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Basic Information
| ChEMBL ID | CHEMBL5595777 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XWMGXSQUJYQINZ-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
512.7
MW (Da)
6.05
ALogP
7
HBA
3
HBD
93.0
PSA (Ų)
0.20
QED
2
Ro5 Violations
12
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Leishmania braziliensis CHEMBL612878 | IC50 | 7.0 | 7.0 | 100.0 | 1 |
| ADMET CHEMBL612558 | IC50 | 4.81 | 4.81 | 15500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Leishmania braziliensis | IC50 | = | 100.0 | nM | 7.0 | Antileishmanial activity against Leishmania braziliensis promastigotes | 37976706 |
| ADMET | IC50 | = | 15500.0 | nM | 4.81 | Cytotoxicity against African green monkey Vero cells assessed as reduction in ce... | 37976706 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37976706 | 10.1016/j.ejmech.2023.115927 | Leishmania braziliensis | 1 |
| 37976706 | 10.1016/j.ejmech.2023.115927 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine