Compound Detail
CHEMBL325593
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Basic Information
| ChEMBL ID | CHEMBL325593 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XPDVXTZDBRTBDR-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
301.3
MW (Da)
2.24
ALogP
4
HBA
1
HBD
64.6
PSA (Ų)
0.86
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Melatonin receptor CHEMBL2094268 | IC50 | 7.5 | 7.5 | 31.4 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Melatonin receptor | IC50 | = | 31.4 | nM | 7.5 | Monophasic inhibitory concentration against melatonin receptor was measured on o... | 7932550 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7932550 | 10.1021/jm00046a006 | Melatonin receptor | 3 |
| 7932550 | 10.1021/jm00046a006 | Ovis aries | 1 |
Data from ChEMBL 36 via Core Engine