Compound Detail
CHEMBL2370152
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NC(=O)c1ccc(C[C@H](N)C(=O)N2Cc3ccccc3C[C@H]2C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)O)cc1
Basic Information
| ChEMBL ID | CHEMBL2370152 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KMWRAUDRFSBFBR-YRCZKMHPSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
661.8
MW (Da)
2.15
ALogP
6
HBA
5
HBD
184.9
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 9.01
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Delta-type opioid receptor CHEMBL269 | Ki | 9.01 | 9.01 | 1.0 | 1 |
| Mu-type opioid receptor CHEMBL270 | Ki | 5.66 | 5.66 | 2190.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Delta-type opioid receptor | Ki | = | 0.978 | nM | 9.01 | Displacement of [3H]DSLET from delta opioid receptor in rat brain membrane after... | 22325949 |
| Mu-type opioid receptor | Ki | = | 2190.0 | nM | 5.66 | Displacement of [3H]DAMGO from mu opioid receptor in rat brain membrane after 2 ... | 22325949 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22325949 | 10.1016/j.bmcl.2012.01.063 | Delta-type opioid receptor | 4 |
| 22325949 | 10.1016/j.bmcl.2012.01.063 | Unchecked | 2 |
| 22325949 | 10.1016/j.bmcl.2012.01.063 | Kappa-type opioid receptor | 1 |
| 22325949 | 10.1016/j.bmcl.2012.01.063 | Mu-type opioid receptor | 1 |
Data from ChEMBL 36 via Core Engine