Compound Detail
CHEMBL4970917
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Basic Information
| ChEMBL ID | CHEMBL4970917 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VSMRDJBXGJBOPL-UHFFFAOYSA-N |
2
Targets
6
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
310.2
MW (Da)
3.98
ALogP
3
HBA
2
HBD
37.0
PSA (Ų)
0.76
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 5.94
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 5.94 | 5.654 | 1150.0 | 5 |
| HepG2 CHEMBL395 | IC50 | 4.79 | 4.79 | 16300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 1150.0 | nM | 5.94 | Re-testing in dose-response curve in 3D7 pLDH assay, at 72h | - |
| Plasmodium falciparum | IC50 | = | 1550.0 | nM | 5.81 | Hit confirmation in dose-response curve in Dd2 pLDH assay, at 72h | - |
| Plasmodium falciparum | IC50 | = | 2000.0 | nM | 5.7 | Hit confirmation in dose-response curve in NF54 nanoGlo assay, at 72h | - |
| Plasmodium falciparum | IC50 | = | 2000.0 | nM | 5.7 | Hit confirmation in dose-response curve in NF54 pLDH assay, at 72h | - |
| Plasmodium falciparum | IC50 | = | 7590.0 | nM | 5.12 | Hit confirmation in dose-response curve in NF54 nanoGlo assay, at 12h | - |
| HepG2 | IC50 | = | 16300.0 | nM | 4.79 | Re-testing in dose-response curve in HepG2 cytotoxicity 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