Compound Detail
CHEMBL3344529
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CCC(=O)O/N=C1\c2ccccc2-c2c1c(N1CCN(c3ccccn3)CC1)nc1ccc(Cl)cc21
Basic Information
| ChEMBL ID | CHEMBL3344529 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RXPDVXKZAFUBRF-QVAGMWBUSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
498.0
MW (Da)
5.30
ALogP
7
HBA
0
HBD
70.9
PSA (Ų)
0.25
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.39
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 5.39 | 5.385 | 4046.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 4046.0 | nM | 5.39 | Antimalarial activity against chloroquine-sensitive Plasmodium falciparum D10 in... | 25311562 |
| Plasmodium falciparum | IC50 | = | 4160.0 | nM | 5.38 | Antimalarial activity against chloroquine-resistant Plasmodium falciparum W2 inf... | 25311562 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25311562 | 10.1016/j.bmc.2014.09.040 | Unchecked | 3 |
| 25311562 | 10.1016/j.bmc.2014.09.040 | Plasmodium falciparum | 2 |
| 25311562 | 10.1016/j.bmc.2014.09.040 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine