Compound Detail
CHEMBL1774690
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Cn1c2c(c3ccccc31)C[C@@H]1C(=O)N([C@@H]3CCN(Cc4ccccc4)C3)CC(=O)N1[C@@H]2c1ccc2c(c1)OCO2
Basic Information
| ChEMBL ID | CHEMBL1774690 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UNKPRBDEYNXTGM-JZTDYHMVSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
548.6
MW (Da)
3.87
ALogP
6
HBA
0
HBD
67.2
PSA (Ų)
0.39
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 5.05 | 5.05 | 9000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 9000.0 | nM | 5.05 | Antiplasmodial activity against chloroquine-susceptible Plasmodium falciparum GH... | 21504142 |
| Plasmodium falciparum | IC50 | = | 9000.0 | nM | 5.05 | Antiplasmodial activity against GHA chloroquine sensitive Plasmodium falciparum | 34058709 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21504142 | 10.1021/jm1014617 | Plasmodium falciparum | 1 |
| 21504142 | 10.1021/jm1014617 | MRC5 | 1 |
| 34058709 | 10.1016/j.ejmech.2021.113536 | Plasmodium falciparum | 1 |
| 34058709 | 10.1016/j.ejmech.2021.113536 | MRC5 | 1 |
Data from ChEMBL 36 via Core Engine