Compound Detail
CHEMBL3344532
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Basic Information
| ChEMBL ID | CHEMBL3344532 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YZGZXKCNYGTRIS-JMFMGIQESA-N |
| Parent Compound | CHEMBL3545779 |
| Active Moiety | CHEMBL3545779 |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
392.9
MW (Da)
3.88
ALogP
5
HBA
0
HBD
41.0
PSA (Ų)
0.52
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 5.5 | 5.42 | 3157.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 3157.0 | nM | 5.5 | Antimalarial activity against chloroquine-resistant Plasmodium falciparum W2 inf... | 25311562 |
| Plasmodium falciparum | IC50 | = | 4578.0 | nM | 5.34 | Antimalarial activity against chloroquine-sensitive Plasmodium falciparum D10 in... | 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