Compound Detail
CHEMBL4745515
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CCn1c(=O)/c(=C2\Sc3ccccc3N2C)s/c1=C/c1cc[n+](C)c(-c2ccccc2)c1.[I-]
Basic Information
| ChEMBL ID | CHEMBL4745515 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NMXMXTIZLQNDHB-DVNIKIMTSA-M |
| Parent Compound | CHEMBL4802603 |
| Active Moiety | CHEMBL4802603 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
458.6
MW (Da)
3.56
ALogP
5
HBA
0
HBD
29.1
PSA (Ų)
0.44
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 8.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | EC50 | 8.4 | 8.4 | 4.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | EC50 | = | 4.0 | nM | 8.4 | Antiplasmodial activity against chloroquine sensitive Plasmodium falciparum FCR-... | 33479627 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33479627 | 10.1039/c9md00479c | Plasmodium falciparum | 1 |
| 33479627 | 10.1039/c9md00479c | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine