Compound Detail
CHEMBL4633269
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Basic Information
| ChEMBL ID | CHEMBL4633269 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GRILELGQNUBIAJ-XXYUJHKVSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
302.3
MW (Da)
1.77
ALogP
6
HBA
0
HBD
78.9
PSA (Ų)
0.61
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.32
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 5.32 | 5.245 | 4800.0 | 2 |
| HEK293 CHEMBL614818 | IC50 | 4.93 | 4.93 | 11800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 4800.0 | nM | 5.32 | Antimalarial activity against chloroquine-sensitive Plasmodium falciparum 3D7 as... | 32067457 |
| Plasmodium falciparum | IC50 | = | 6700.0 | nM | 5.17 | Antimalarial activity against chloroquine-resistant Plasmodium falciparum Dd2 as... | 32067457 |
| HEK293 | IC50 | = | 11800.0 | nM | 4.93 | Cytotoxicity against HEK293 cells | 32067457 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32067457 | 10.1021/acs.jnatprod.9b00721 | Plasmodium falciparum | 2 |
| 32067457 | 10.1021/acs.jnatprod.9b00721 | HEK293 | 1 |
| 32067457 | 10.1021/acs.jnatprod.9b00721 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine