Compound Detail
CHEMBL1774614
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CN(CCN1CC(=O)N2[C@H](c3ccc4c(c3)OCO4)c3[nH]c4ccccc4c3C[C@@H]2C1=O)Cc1ccccc1
Basic Information
| ChEMBL ID | CHEMBL1774614 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AHKXSEGPAYMORE-FYBSXPHGSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
522.6
MW (Da)
3.71
ALogP
5
HBA
1
HBD
78.1
PSA (Ų)
0.42
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.16
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 5.16 | 5.16 | 7000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 7000.0 | nM | 5.16 | Antiplasmodial activity against chloroquine-susceptible Plasmodium falciparum GH... | 21504142 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21504142 | 10.1021/jm1014617 | Plasmodium falciparum | 1 |
| 21504142 | 10.1021/jm1014617 | MRC5 | 1 |
Data from ChEMBL 36 via Core Engine