Compound Detail
CHEMBL4748768
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O=C(NO)C1CN(C(=O)c2ccc(-c3ccccc3)cc2)CCN1S(=O)(=O)c1ccc(-c2ccccc2)cc1
Basic Information
| ChEMBL ID | CHEMBL4748768 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LCVNQDHCLQFSOV-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
541.6
MW (Da)
4.04
ALogP
5
HBA
2
HBD
107.0
PSA (Ų)
0.28
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 5.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Falcilysin CHEMBL4295876 | Ki | 5.0 | 5.0 | 10000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Falcilysin | Ki | = | 10000.0 | nM | 5.0 | Inhibition of Plasmodium falciparum FLN | 33227414 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33227414 | 10.1016/j.bmcl.2020.127683 | Falcilysin | 1 |
| 33227414 | 10.1016/j.bmcl.2020.127683 | Plasmodium falciparum | 1 |
Data from ChEMBL 36 via Core Engine