Compound Detail
CHEMBL3759383
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Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1CN[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Basic Information
| ChEMBL ID | CHEMBL3759383 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MZZBNDGZTPEYGP-SNZVYYTPSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
647.8
MW (Da)
3.25
ALogP
6
HBA
5
HBD
150.8
PSA (Ų)
0.15
QED
1
Ro5 Violations
13
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 9.36
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Delta-type opioid receptor CHEMBL236 | Ki | 9.36 | 9.36 | 0.4 | 1 |
| Mu-type opioid receptor CHEMBL233 | Ki | 9.03 | 9.03 | 0.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Delta-type opioid receptor | Ki | = | 0.44 | nM | 9.36 | Binding affinity at delta opioid receptor (unknown origin) | 26656913 |
| Mu-type opioid receptor | Ki | = | 0.94 | nM | 9.03 | Binding affinity at mu opioid receptor (unknown origin) | 26656913 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26656913 | 10.1016/j.ejmech.2015.11.028 | Mu-type opioid receptor | 1 |
| 26656913 | 10.1016/j.ejmech.2015.11.028 | Delta-type opioid receptor | 1 |
Data from ChEMBL 36 via Core Engine