Compound Detail
CHEMBL4083971
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Basic Information
| ChEMBL ID | CHEMBL4083971 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BLGFPSBLMAJNBX-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
333.8
MW (Da)
3.70
ALogP
7
HBA
1
HBD
93.3
PSA (Ų)
0.45
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Leishmania braziliensis CHEMBL612878 | EC50 | 5.5 | 5.5 | 3200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Leishmania braziliensis | EC50 | = | 3200.0 | nM | 5.5 | Antileishmanial activity against Leishmania braziliensis MHOM/CO/87/UA301 promas... | 28119201 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28119201 | 10.1016/j.ejmech.2017.01.022 | Leishmania braziliensis | 3 |
| 28119201 | 10.1016/j.ejmech.2017.01.022 | Unchecked | 2 |
Data from ChEMBL 36 via Core Engine