Compound Detail
CHEMBL2335727
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Basic Information
| ChEMBL ID | CHEMBL2335727 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LLUHOVCKCCAJFW-DHZHZOJOSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
418.5
MW (Da)
5.72
ALogP
5
HBA
2
HBD
83.8
PSA (Ų)
0.26
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.06
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 7.06 | 7.06 | 87.5 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.34 | 5.34 | 4600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 87.55 | nM | 7.06 | Antimalarial activity against schizont stage of chloroquine-sensitive Plasmodium... | 23270565 |
| Unchecked | IC50 | = | 4600.0 | nM | 5.34 | Inhibition of Plasmodium falciparum recombinant Falcipain-2 using Z-LR-AMC as su... | 23270565 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23270565 | 10.1021/jm300588j | Unchecked | 5 |
| 23270565 | 10.1021/jm300588j | Plasmodium falciparum | 4 |
| 23270565 | 10.1021/jm300588j | Plasmodium yoelii | 2 |
| 23270565 | 10.1021/jm300588j | ADMET | 1 |
Data from ChEMBL 36 via Core Engine