Compound Detail
CHEMBL440892
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O=C(NCCCCCCCCCCNC(=O)C1=CC2c3ccccc3C1c1ccccc12)C1=CC2c3ccccc3C1c1ccccc12
Basic Information
| ChEMBL ID | CHEMBL440892 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FEVMOIJEIVYUTN-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
632.9
MW (Da)
8.77
ALogP
2
HBA
2
HBD
58.2
PSA (Ų)
0.14
QED
2
Ro5 Violations
13
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 5.1 | 5.1 | 8000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 8000.0 | nM | 5.1 | In vitro inhibitory activity against multidrug-resistant Plasmodium falciparum W... | 12109904 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12109904 | 10.1021/jm011046l | Plasmodium falciparum | 4 |
| 12109904 | 10.1021/jm011046l | No relevant target | 3 |
| 12109904 | 10.1021/jm011046l | ADMET | 1 |
| 12109904 | 10.1021/jm011046l | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine