Compound Detail
CHEMBL1882218
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Basic Information
| ChEMBL ID | CHEMBL1882218 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JYWNYMJKURVPFH-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
264.3
MW (Da)
0.97
ALogP
4
HBA
2
HBD
84.5
PSA (Ų)
0.57
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 4.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Olfactory receptor 51E2 CHEMBL4523454 | EC50 | 4.92 | 4.92 | 12000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Olfactory receptor 51E2 | EC50 | = | 12000.0 | nM | 4.92 | Agonist activity at PSGR/OR51E2 (unknown origin) expressed in human Hana3A cells... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35930058 | 10.1021/acs.jmedchem.2c00717 | Melatonin receptor type 1A | 2 |
| 35930058 | 10.1021/acs.jmedchem.2c00717 | Melatonin receptor type 1B | 2 |
Data from ChEMBL 36 via Core Engine