Compound Detail
CHEMBL3754405
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Basic Information
| ChEMBL ID | CHEMBL3754405 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YJAAIVOPOVRFOF-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
2
PK Parameters
3
Publications
0
Known Names
Molecular Properties
375.2
MW (Da)
5.26
ALogP
3
HBA
1
HBD
51.2
PSA (Ų)
0.66
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 5.75 | 5.455 | 1800.0 | 2 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 1.0 | hr | Homo sapiens |
| T1/2 | 1.0 | hr | Mus musculus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 1800.0 | nM | 5.75 | Antiplasmodial activity against chloroquine, quinine and pyrimethamine-resistant... | 26750257 |
| Plasmodium falciparum | IC50 | = | 6900.0 | nM | 5.16 | Antiplasmodial activity against mefloquine-resistant Plasmodium falciparum D6 as... | 26750257 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26750257 | 10.1016/j.bmcl.2015.12.032 | Plasmodium falciparum | 3 |
| 26750257 | 10.1016/j.bmcl.2015.12.032 | Liver microsome | 1 |
| 26750257 | 10.1016/j.bmcl.2015.12.032 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine