Compound Detail
CHEMBL225646
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Basic Information
| ChEMBL ID | CHEMBL225646 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OAKGBESQBGCJJE-LZYBPNLTSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
308.4
MW (Da)
1.25
ALogP
5
HBA
4
HBD
94.1
PSA (Ų)
0.38
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.42
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Falcipain 2 CHEMBL5800 | IC50 | 5.42 | 5.42 | 3800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Falcipain 2 | IC50 | = | 3800.0 | nM | 5.42 | Inhibition of Plasmodium falciparum recombinant falcipain-2 | 17052908 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17052908 | 10.1016/j.bmc.2006.09.055 | Plasmodium falciparum | 1 |
| 17052908 | 10.1016/j.bmc.2006.09.055 | Falcipain 2 | 1 |
Data from ChEMBL 36 via Core Engine