Compound Detail
CHEMBL4940671
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Basic Information
| ChEMBL ID | CHEMBL4940671 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DHWBPQRIUWVLJR-UHFFFAOYSA-O |
2
Targets
5
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
235.3
MW (Da)
3.16
ALogP
0
HBA
1
HBD
19.7
PSA (Ų)
0.66
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 6.39
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 6.39 | 6.055 | 407.4 | 4 |
| HepG2 CHEMBL395 | IC50 | 5.1 | 5.1 | 7940.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 407.4 | nM | 6.39 | Hit confirmation in dose-response curve in NF54 nanoGlo assay, at 72h | - |
| Plasmodium falciparum | IC50 | = | 437.0 | nM | 6.36 | Hit confirmation in dose-response curve in Dd2 pLDH assay, at 72h | - |
| Plasmodium falciparum | IC50 | = | 676.0 | nM | 6.17 | Hit confirmation in dose-response curve in NF54 pLDH assay, at 72h | - |
| Plasmodium falciparum | IC50 | = | 5010.0 | nM | 5.3 | Hit confirmation in dose-response curve in NF54 nanoGlo assay, at 12h | - |
| HepG2 | IC50 | = | 7940.0 | nM | 5.1 | 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