Compound Detail
CHEMBL607395
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Oc1ccc2c3c1O[C@H]1c4[nH]c5ccccc5c4C[C@H]4[C@@H](C2)N(C/C=C/c2ccccc2)CC[C@]314
Basic Information
| ChEMBL ID | CHEMBL607395 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IDQUAQRNJGIRIN-UKOLQDBRSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
460.6
MW (Da)
5.76
ALogP
3
HBA
2
HBD
48.5
PSA (Ų)
0.41
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 6.98
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Delta-type opioid receptor CHEMBL236 | Ki | 6.98 | 6.98 | 105.7 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Delta-type opioid receptor | Ki | = | 105.7 | nM | 6.98 | The compound was evaluated for binding affinity against Opioid receptor delta 1 ... | 1333013 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1333013 | 10.1021/jm00101a009 | Mus musculus | 3 |
| 1333013 | 10.1021/jm00101a009 | Cavia porcellus | 3 |
| 1333013 | 10.1021/jm00101a009 | Mu-type opioid receptor | 2 |
| 1333013 | 10.1021/jm00101a009 | Delta-type opioid receptor | 2 |
| 1333013 | 10.1021/jm00101a009 | Kappa-type opioid receptor | 1 |
Data from ChEMBL 36 via Core Engine