Compound Detail
CHEMBL288084
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Basic Information
| ChEMBL ID | CHEMBL288084 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KIHVPIRTWGPOKL-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
260.3
MW (Da)
2.64
ALogP
2
HBA
2
HBD
54.1
PSA (Ų)
0.84
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.72
Ki 1 meas. best 9.14
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Melatonin receptor CHEMBL2095154 | Ki | 9.14 | 9.14 | 0.7 | 1 |
| Plasmodium falciparum CHEMBL364 | IC50 | 4.72 | 4.72 | 19170.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Melatonin receptor | Ki | = | 0.73 | nM | 9.14 | Binding affinity to compete for 2-[125I]iodomelatonin binding to chicken retinal... | 8411005 |
| Plasmodium falciparum | IC50 | = | 19170.0 | nM | 4.72 | Antiplasmodial activity against ring stage synchronized Plasmodium falciparum 3D... | 24699367 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24699367 | 10.1016/j.ejmech.2014.03.055 | Plasmodium falciparum | 3 |
| 8411005 | 10.1021/jm00072a008 | Melatonin receptor | 2 |
| 12672242 | 10.1021/jm020982d | Melatonin receptor type 1A | 1 |
| 12672242 | 10.1021/jm020982d | Melatonin receptor type 1B | 1 |
Data from ChEMBL 36 via Core Engine