Compound Detail
CHEMBL488829
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Basic Information
| ChEMBL ID | CHEMBL488829 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IABRWLMQSLYNJA-FQEVSTJZSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
390.4
MW (Da)
3.97
ALogP
5
HBA
1
HBD
77.4
PSA (Ų)
0.59
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 4.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Falcipain 2 CHEMBL5800 | IC50 | 4.96 | 4.96 | 10900.0 | 1 |
| Plasmodium falciparum CHEMBL364 | IC50 | 4.64 | 4.575 | 22700.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Falcipain 2 | IC50 | = | 10900.0 | nM | 4.96 | Inhibition of Plasmodium falciparum recombinant falcipain-2 | 18554905 |
| Plasmodium falciparum | IC50 | = | 22700.0 | nM | 4.64 | Antimalarial activity against chloroquine-resistant Plasmodium falciparum TM6 in... | 18554905 |
| Plasmodium falciparum | IC50 | = | 31000.0 | nM | 4.51 | Antimalarial activity against chloroquine-sensitive Plasmodium falciparum 3D7 in... | 18554905 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18554905 | 10.1016/j.bmcl.2008.05.068 | Plasmodium falciparum | 2 |
| 18554905 | 10.1016/j.bmcl.2008.05.068 | Cysteine protease falcipain-3 | 1 |
| 18554905 | 10.1016/j.bmcl.2008.05.068 | Falcipain 2 | 1 |
Data from ChEMBL 36 via Core Engine