Compound Detail
CHEMBL3262100
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Basic Information
| ChEMBL ID | CHEMBL3262100 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DCFFAFGQWVFPTB-STZFKDTASA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
327.4
MW (Da)
4.91
ALogP
3
HBA
1
HBD
38.3
PSA (Ų)
0.69
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neutrophil elastase CHEMBL248 | IC50 | 6.05 | 6.05 | 900.0 | 1 |
| Plasmodium falciparum CHEMBL364 | IC50 | 5.3 | 5.3 | 5000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neutrophil elastase | IC50 | = | 900.0 | nM | 6.05 | Inhibition of human neutrophil elastase pre-incubated for 30 mins before MeO-Suc... | - |
| Plasmodium falciparum | IC50 | = | 5000.0 | nM | 5.3 | Antiplasmodial activity against chloroquine-resistant ring stage Plasmodium falc... | 24813880 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1039/C5MD00164A | Neutrophil elastase | 4 |
| 24813880 | 10.1016/j.ejmech.2014.04.076 | Unchecked | 2 |
| 24813880 | 10.1016/j.ejmech.2014.04.076 | Plasmodium falciparum | 1 |
| 24813880 | 10.1016/j.ejmech.2014.04.076 | HEK-293T | 1 |
| - | 10.1039/C5MD00164A | HEK293 | 1 |
| - | 10.1039/C5MD00164A | NON-PROTEIN TARGET | 1 |
Data from ChEMBL 36 via Core Engine