Compound Detail
CHEMBL582459
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Basic Information
| ChEMBL ID | CHEMBL582459 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NCUBQKKDYAQEMD-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
310.4
MW (Da)
3.51
ALogP
3
HBA
2
HBD
63.4
PSA (Ų)
0.76
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.22
IC50 1 meas. best 5.47
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | EC50 | 6.22 | 6.22 | 604.0 | 1 |
| Fatty-acid amide hydrolase 1 CHEMBL2243 | IC50 | 5.47 | 5.47 | 3360.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | EC50 | = | 604.0 | nM | 6.22 | NOVARTIS: Inhibition of Plasmodium falciparum W2 (drug-resistant) proliferation ... | 18579783 |
| Fatty-acid amide hydrolase 1 | IC50 | = | 3360.0 | nM | 5.47 | Inhibition of human FAAH by fluorescence-based cayman assay | 38325006 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18579783 | 10.1073/pnas.0802982105 | Plasmodium falciparum | 2 |
| 18579783 | 10.1073/pnas.0802982105 | Unchecked | 1 |
| 18579783 | 10.1073/pnas.0802982105 | Huh-7 | 1 |
| 22096101 | 10.1126/science.1211936 | Plasmodium yoelii | 1 |
| 38325006 | 10.1016/j.ejmech.2024.116208 | Transient receptor potential cation channel subfamily V member 1 | 1 |
| 38325006 | 10.1016/j.ejmech.2024.116208 | Fatty-acid amide hydrolase 1 | 1 |
Data from ChEMBL 36 via Core Engine