Compound Detail
CHEMBL277636
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Basic Information
| ChEMBL ID | CHEMBL277636 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RVMJEGUPDTVYDF-ZVAWYAOSSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
391.5
MW (Da)
1.08
ALogP
5
HBA
1
HBD
64.1
PSA (Ų)
0.76
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.43
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Kappa-type opioid receptor CHEMBL237 | IC50 | 7.43 | 7.43 | 37.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Kappa-type opioid receptor | IC50 | = | 37.0 | nM | 7.43 | Agonistic activity at kappa opioid receptor of rabbit vas deferens | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(00)80229-2 | Mus musculus | 2 |
| - | 10.1016/S0960-894X(00)80229-2 | No relevant target | 1 |
| - | 10.1016/S0960-894X(00)80229-2 | Kappa-type opioid receptor | 1 |
| - | 10.1016/S0960-894X(00)80229-2 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine