Compound Detail
CHEMBL280012
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Basic Information
| ChEMBL ID | CHEMBL280012 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HUJGFZRWKWRIEH-UHFFFAOYSA-N |
1
Targets
5
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
314.4
MW (Da)
5.15
ALogP
3
HBA
1
HBD
46.0
PSA (Ų)
0.32
QED
1
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 5.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 5.5 | 5.292 | 3140.0 | 5 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 3140.0 | nM | 5.5 | In vitro antimalarial activity for Plasmodium falciparum BHz26/86 | 14980653 |
| Plasmodium falciparum | IC50 | = | 3540.0 | nM | 5.45 | In vitro antimalarial activity for Plasmodium falciparum W2 | 14980653 |
| Plasmodium falciparum | IC50 | = | 3720.0 | nM | 5.43 | In vitro antimalarial activity for Plasmodium falciparum D6 | 14980653 |
| Plasmodium falciparum | IC50 | = | 9000.0 | nM | 5.05 | Antimicrobial activity against Plasmodium falciparum | 20185316 |
| Plasmodium falciparum | IC50 | = | 9440.0 | nM | 5.03 | In vitro antimalarial activity for Plasmodium falciparum HB3 | 14980653 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 14980653 | 10.1016/j.bmcl.2003.12.069 | Plasmodium falciparum | 4 |
| 20185316 | 10.1016/j.bmc.2010.01.068 | Plasmodium falciparum | 1 |
Data from ChEMBL 36 via Core Engine