Compound Detail
CHEMBL191640
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Basic Information
| ChEMBL ID | CHEMBL191640 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VMQRFRKRKATULH-UUILKARUSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
412.8
MW (Da)
6.16
ALogP
2
HBA
2
HBD
58.2
PSA (Ų)
0.39
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 5.75 | 5.425 | 1760.0 | 2 |
| Falcipain 2 CHEMBL5800 | IC50 | 5.58 | 5.58 | 2600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 1760.0 | nM | 5.75 | Antimalarial activity against Plasmodium falciparum | 17112640 |
| Falcipain 2 | IC50 | = | 2600.0 | nM | 5.58 | Inhibitory concentration against recombinant Falcipain-2 | 15887974 |
| Plasmodium falciparum | IC50 | = | 8000.0 | nM | 5.1 | Inhibitory concentration against Plasmodium falciparum in FACS | 15887974 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15887974 | 10.1021/jm058208o | Plasmodium falciparum | 1 |
| 15887974 | 10.1021/jm058208o | Falcipain 2 | 1 |
| 15887974 | 10.1021/jm058208o | Histidine-rich protein PFHRP-II | 1 |
| 15887974 | 10.1021/jm058208o | Mus musculus | 1 |
| 17112640 | 10.1016/j.ejmech.2006.09.019 | Plasmodium falciparum | 1 |
Data from ChEMBL 36 via Core Engine