Compound Detail
CHEMBL4920363
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Basic Information
| ChEMBL ID | CHEMBL4920363 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CQTGJKYBUCHLFO-UHFFFAOYSA-N |
2
Targets
5
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
411.5
MW (Da)
6.47
ALogP
3
HBA
2
HBD
70.2
PSA (Ų)
0.34
QED
1
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 6.29
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 6.29 | 5.9875 | 512.9 | 4 |
| HepG2 CHEMBL395 | IC50 | 5.08 | 5.08 | 8320.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 512.9 | nM | 6.29 | Hit confirmation in dose-response curve in NF54 nanoGlo assay, at 72h | - |
| Plasmodium falciparum | IC50 | = | 977.0 | nM | 6.01 | Hit confirmation in dose-response curve in NF54 nanoGlo assay, at 12h | - |
| Plasmodium falciparum | IC50 | = | 1150.0 | nM | 5.94 | Hit confirmation in dose-response curve in NF54 pLDH assay, at 72h | - |
| Plasmodium falciparum | IC50 | = | 1950.0 | nM | 5.71 | Hit confirmation in dose-response curve in Dd2 pLDH assay, at 72h | - |
| HepG2 | IC50 | = | 8320.0 | nM | 5.08 | Hit confirmation in dose-response curve in HepG2 cytotoxicity assay, at 72h | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL4888484 | Plasmodium falciparum | 8 |
| - | 10.6019/CHEMBL4888484 | HepG2 | 1 |
Data from ChEMBL 36 via Core Engine