Compound Detail
CHEMBL200456
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Basic Information
| ChEMBL ID | CHEMBL200456 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DYTXUBOMMGLAOE-FNNGWQQSSA-N |
| Parent Compound | CHEMBL1908901 |
| Active Moiety | CHEMBL1908901 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
412.5
MW (Da)
3.98
ALogP
4
HBA
0
HBD
49.9
PSA (Ų)
0.62
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 9.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mu-type opioid receptor CHEMBL233 | Ki | 9.89 | 9.89 | 0.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mu-type opioid receptor | Ki | = | 0.13 | nM | 9.89 | Displacement of [3H]DAMGO from recombinant human mu opioid receptor | 16302812 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16302812 | 10.1021/jm0507274 | Mus musculus | 3 |
| 16302812 | 10.1021/jm0507274 | Mu-type opioid receptor | 1 |
| 16302812 | 10.1021/jm0507274 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine