Compound Detail
CHEMBL304900
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Basic Information
| ChEMBL ID | CHEMBL304900 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IYHYXKBLRAJUGQ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
388.3
MW (Da)
2.38
ALogP
4
HBA
0
HBD
53.1
PSA (Ų)
0.80
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Kappa-type opioid receptor CHEMBL237 | IC50 | 8.92 | 8.92 | 1.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Kappa-type opioid receptor | IC50 | = | 1.2 | nM | 8.92 | In vitro agonist activity at kappa opioid receptor in rabbit vas deferens. | 8393489 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8393489 | 10.1021/jm00067a004 | Kappa-type opioid receptor | 1 |
| 8393489 | 10.1021/jm00067a004 | Mus musculus | 1 |
Data from ChEMBL 36 via Core Engine