Compound Detail
CHEMBL5273047
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CN1CCN(CCNCc2ccc(-c3cc(-c4ccc(CNCCN5CCN(C)CC5)cc4)c4ccccc4n3)cc2)CC1
Basic Information
| ChEMBL ID | CHEMBL5273047 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HQCKISXFHCJCQW-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
591.9
MW (Da)
4.24
ALogP
7
HBA
2
HBD
49.9
PSA (Ų)
0.24
QED
1
Ro5 Violations
12
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 6.89 | 6.255 | 130.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 130.0 | nM | 6.89 | Antimalarial activity against CQ-resistant Plasmodium falciparum W2 | 34655985 |
| Plasmodium falciparum | IC50 | = | 2420.0 | nM | 5.62 | Antimalarial activity against CQ-sensitive Plasmodium falciparum 3D7 | 34655985 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34655985 | 10.1016/j.ejmech.2021.113865 | Plasmodium falciparum | 3 |
Data from ChEMBL 36 via Core Engine