Compound Detail
CHEMBL381970
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Basic Information
| ChEMBL ID | CHEMBL381970 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MBPGRIVYEDPPTM-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
348.4
MW (Da)
3.56
ALogP
6
HBA
1
HBD
68.3
PSA (Ų)
0.50
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.37
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cysteine protease CHEMBL4751 | IC50 | 4.37 | 4.37 | 43000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cysteine protease | IC50 | = | 43000.0 | nM | 4.37 | Inhibition of Leishmania donovani cysteine protease | 16509575 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16509575 | 10.1021/jm0505765 | Cysteine protease | 1 |
Data from ChEMBL 36 via Core Engine