Compound Detail
CHEMBL440764
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Basic Information
| ChEMBL ID | CHEMBL440764 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QRHRTAGOCOHYIC-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
392.4
MW (Da)
3.56
ALogP
6
HBA
1
HBD
82.2
PSA (Ų)
0.49
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.02
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 5.02 | 5.02 | 9500.0 | 1 |
| Falcipain 2 CHEMBL5800 | IC50 | 4.86 | 4.86 | 13800.0 | 1 |
| Cysteine protease falcipain-3 CHEMBL4510 | IC50 | 4.51 | 4.51 | 31200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 9500.0 | nM | 5.02 | Antimalarial activity against Plasmodium falciparum W2 | 16509575 |
| Falcipain 2 | IC50 | = | 13800.0 | nM | 4.86 | Inhibition of falcipain2 | 16509575 |
| Cysteine protease falcipain-3 | IC50 | = | 31200.0 | nM | 4.51 | Inhibition of falcipain3 | 16509575 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16509575 | 10.1021/jm0505765 | Falcipain 2 | 1 |
| 16509575 | 10.1021/jm0505765 | Cysteine protease falcipain-3 | 1 |
| 16509575 | 10.1021/jm0505765 | Plasmodium falciparum | 1 |
Data from ChEMBL 36 via Core Engine