Compound Detail
CHEMBL499767
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Basic Information
| ChEMBL ID | CHEMBL499767 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GPKYWIFQDQSSTK-VAWYXSNFSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
304.4
MW (Da)
4.17
ALogP
3
HBA
0
HBD
34.1
PSA (Ų)
0.78
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.28
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 6.28 | 6.28 | 520.0 | 1 |
| ADMET CHEMBL612558 | IC50 | 6.07 | 6.07 | 850.0 | 1 |
| Plasmodium falciparum CHEMBL364 | IC50 | 5.52 | 5.38 | 3000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 520.0 | nM | 6.28 | Inhibition of Plasmodium falciparum KAS3 expressed in Escherichia coli assessed ... | 19191586 |
| ADMET | IC50 | = | 850.0 | nM | 6.07 | Cytotoxicity against mouse J774.G8 cells after 72 hrs by MTS assay | 19191586 |
| Plasmodium falciparum | IC50 | = | 3000.0 | nM | 5.52 | Antimalarial activity against chloroquine-resistant Plasmodium falciparum D6 by ... | 19191586 |
| Plasmodium falciparum | IC50 | = | 5800.0 | nM | 5.24 | Antimalarial activity against chloroquine-sensitive Plasmodium falciparum W2 by ... | 19191586 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19191586 | 10.1021/jm8008103 | Plasmodium falciparum | 3 |
| 19191586 | 10.1021/jm8008103 | ADMET | 2 |
| 19191586 | 10.1021/jm8008103 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine