Compound Detail
CHEMBL3218472
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Basic Information
| ChEMBL ID | CHEMBL3218472 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XQJVNASGBRYKIV-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
277.4
MW (Da)
1.64
ALogP
3
HBA
2
HBD
82.0
PSA (Ų)
0.77
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 5.12
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Ki | 5.12 | 5.12 | 7600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 7600.0 | nM | 5.12 | Inhibition of Plasmodium falciparum recombinant falcipain 2 using Cbz-Leu-Arg-AM... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1039/C1MD00115A | Unchecked | 3 |
| - | 10.1039/C1MD00115A | Cathepsin B | 2 |
| - | 10.1039/C1MD00115A | Procathepsin L | 2 |
Data from ChEMBL 36 via Core Engine