Compound Detail
CHEMBL4987022
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Basic Information
| ChEMBL ID | CHEMBL4987022 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KXWVARGTNBLROA-UHFFFAOYSA-N |
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
459.6
MW (Da)
3.96
ALogP
8
HBA
1
HBD
85.4
PSA (Ų)
0.42
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.88
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 6.88 | 6.48 | 132.0 | 4 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 132.0 | nM | 6.88 | Hit confirmation in dose-response curve in Dd2 pLDH assay, at 72h | - |
| Plasmodium falciparum | IC50 | = | 145.0 | nM | 6.84 | Hit confirmation in dose-response curve in NF54 nanoGlo assay, at 72h | - |
| Plasmodium falciparum | IC50 | = | 174.0 | nM | 6.76 | Hit confirmation in dose-response curve in NF54 pLDH assay, at 72h | - |
| Plasmodium falciparum | IC50 | = | 3650.0 | nM | 5.44 | Re-testing in dose-response curve in 3D7 pLDH assay, at 72h | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL4888484 | Plasmodium falciparum | 9 |
| - | 10.6019/CHEMBL4888484 | HepG2 | 2 |
Data from ChEMBL 36 via Core Engine