Compound Detail
CHEMBL5420787
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Basic Information
| ChEMBL ID | CHEMBL5420787 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XFYBAZWGZATEBD-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
238.7
MW (Da)
2.94
ALogP
3
HBA
1
HBD
38.9
PSA (Ų)
0.84
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Leishmania braziliensis CHEMBL612878 | IC50 | 4.4 | 4.4 | 39900.0 | 1 |
| Leishmania amazonensis CHEMBL612877 | IC50 | 4.28 | 4.28 | 52900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Leishmania braziliensis | IC50 | = | 39900.0 | nM | 4.4 | Antileishmanial activity against Leishmania braziliensis promastigotes assessed ... | 36493616 |
| Leishmania amazonensis | IC50 | = | 52900.0 | nM | 4.28 | Antileishmanial activity against Leishmania amazonensis promastigotes assessed a... | 36493616 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36493616 | 10.1016/j.ejmech.2022.115002 | Leishmania amazonensis | 1 |
| 36493616 | 10.1016/j.ejmech.2022.115002 | Leishmania braziliensis | 1 |
Data from ChEMBL 36 via Core Engine