Compound Detail
CHEMBL558580
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Basic Information
| ChEMBL ID | CHEMBL558580 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GJADVEPENRPEKU-UHFFFAOYSA-N |
| Parent Compound | CHEMBL1196897 |
| Active Moiety | CHEMBL1196897 |
1
Targets
2
Activities
1
Assay Types
1
PK Parameters
2
Publications
0
Known Names
Molecular Properties
546.7
MW (Da)
7.01
ALogP
6
HBA
0
HBD
55.1
PSA (Ų)
0.13
QED
2
Ro5 Violations
18
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.03
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 7.03 | 6.925 | 93.0 | 2 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| Ka | 0.6 | 10^5/M | - |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 93.0 | nM | 7.03 | Antimalarial activity against Plasmodium falciparum D6 in MSF assay | 18023189 |
| Plasmodium falciparum | IC50 | = | 150.0 | nM | 6.82 | Antimalarial activity against Plasmodium falciparum W2 in MSF assay | 18023189 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18023189 | 10.1016/j.bmc.2007.10.083 | Plasmodium falciparum | 2 |
| 18023189 | 10.1016/j.bmc.2007.10.083 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine