Compound Detail
CHEMBL5001025
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Basic Information
| ChEMBL ID | CHEMBL5001025 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HNQPHNNSLGNAIQ-UHFFFAOYSA-N |
2
Targets
5
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
413.4
MW (Da)
5.37
ALogP
4
HBA
1
HBD
34.8
PSA (Ų)
0.39
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 6.25
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 6.25 | 6.0325 | 562.0 | 4 |
| HepG2 CHEMBL395 | IC50 | 5.41 | 5.41 | 3900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 562.0 | nM | 6.25 | Hit confirmation in dose-response curve in NF54 pLDH assay, at 72h | - |
| Plasmodium falciparum | IC50 | = | 741.0 | nM | 6.13 | Hit confirmation in dose-response curve in NF54 nanoGlo assay, at 72h | - |
| Plasmodium falciparum | IC50 | = | 1170.0 | nM | 5.93 | Hit confirmation in dose-response curve in Dd2 pLDH assay, at 72h | - |
| Plasmodium falciparum | IC50 | = | 1510.0 | nM | 5.82 | Hit confirmation in dose-response curve in NF54 nanoGlo assay, at 12h | - |
| HepG2 | IC50 | = | 3900.0 | nM | 5.41 | 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