Compound Detail
CHEMBL4293986
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Basic Information
| ChEMBL ID | CHEMBL4293986 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OKMDWVSLBCLFHT-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
460.0
MW (Da)
4.61
ALogP
5
HBA
2
HBD
70.2
PSA (Ų)
0.36
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.12
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 7.12 | 6.59 | 76.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 76.0 | nM | 7.12 | Antiplasmodial activity against chloroquine-sensitive Plasmodium falciparum FCR-... | 30344903 |
| Plasmodium falciparum | IC50 | = | 870.0 | nM | 6.06 | Antiplasmodial activity against chloroquine-resistant Plasmodium falciparum K1 i... | 30344903 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30344903 | 10.1021/acsmedchemlett.8b00222 | Plasmodium falciparum | 2 |
| 30344903 | 10.1021/acsmedchemlett.8b00222 | MRC5 | 1 |
| 30344903 | 10.1021/acsmedchemlett.8b00222 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine