Compound Detail
CHEMBL4647787
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c1ccc2c(c1)[nH]c1c([C@H]3CC[C@H]3c3nccc4c3[nH]c3ccccc34)nccc12
Basic Information
| ChEMBL ID | CHEMBL4647787 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UXOQEACNXUTSDW-HDICACEKSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
388.5
MW (Da)
6.41
ALogP
2
HBA
2
HBD
57.4
PSA (Ų)
0.36
QED
1
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 5.0 | 5.0 | 10000.0 | 1 |
| HEK293 CHEMBL614818 | IC50 | 5.0 | 5.0 | 10000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HEK293 | IC50 | = | 10000.0 | nM | 5.0 | Cytotoxicity against HEK293 cells incubated for 72 hrs by resazurin dye based as... | 31961680 |
| Plasmodium falciparum | IC50 | = | 10000.0 | nM | 5.0 | Antiplasmodial activity against chloroquine-sensitive Plasmodium falciparum 3D7 ... | 31961680 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31961680 | 10.1021/acs.jnatprod.9b00933 | HEK293 | 1 |
| 31961680 | 10.1021/acs.jnatprod.9b00933 | Plasmodium falciparum | 1 |
Data from ChEMBL 36 via Core Engine