Compound Detail
CHEMBL4177103
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Basic Information
| ChEMBL ID | CHEMBL4177103 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YXOATFKTEDZPFL-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
336.3
MW (Da)
4.06
ALogP
5
HBA
2
HBD
79.9
PSA (Ų)
0.70
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 5.64 | 5.555 | 2300.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 2300.0 | nM | 5.64 | Antimalarial activity against chloroquine-resistant Plasmodium falciparum Dd2 af... | 29236492 |
| Plasmodium falciparum | IC50 | = | 3400.0 | nM | 5.47 | Antimalarial activity against chloroquine-sensitive Plasmodium falciparum 3D7 af... | 29236492 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29236492 | 10.1021/acs.jnatprod.7b00587 | Plasmodium falciparum | 2 |
| 29236492 | 10.1021/acs.jnatprod.7b00587 | HEK293 | 1 |
| 29236492 | 10.1021/acs.jnatprod.7b00587 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine