Compound Detail
CHEMBL607481
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Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](CC(N)=O)C(=O)O
Basic Information
| ChEMBL ID | CHEMBL607481 |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | GKMIMMIVGJGXPV-ACRUOGEOSA-N |
4
Targets
5
Activities
2
Assay Types
1
PK Parameters
6
Publications
0
Known Names
Molecular Properties
482.5
MW (Da)
0.28
ALogP
6
HBA
5
HBD
176.1
PSA (Ų)
0.36
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Protein |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 8.96
Kd 1 meas. best 8.23
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Delta-type opioid receptor CHEMBL269 | Ki | 8.96 | 8.96 | 1.1 | 1 |
| Unchecked CHEMBL612545 | Ki | 8.96 | 8.025 | 1.1 | 2 |
| Delta-type opioid receptor CHEMBL3222 | Kd | 8.23 | 8.23 | 5.9 | 1 |
| Mu-type opioid receptor CHEMBL270 | Ki | 7.09 | 7.09 | 80.3 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| Ke | 5.88 | nM | - |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Delta-type opioid receptor | Ki | = | 1.1 | nM | 8.96 | Inhibition of [3H]DPDPE binding to Opioid receptor delta 1 of rat brain P2 synap... | 12459023 |
| Unchecked | Ki | = | 1.1 | nM | 8.96 | Binding affinity for rat Opioid receptor delta 1 | 15267245 |
| Delta-type opioid receptor | Kd | = | 5.888 | nM | 8.23 | Antagonist activity against deltorphin in mouse vas deferens assay | 15267245 |
| Mu-type opioid receptor | Ki | = | 80.3 | nM | 7.09 | Inhibition of [3H]DAGO binding to Opioid receptor mu 1 of rat brain P2 synaptoso... | 12459023 |
| Unchecked | Ki | = | 80.3 | nM | 7.09 | Binding affinity for rat Opioid receptor mu 1 | 15267245 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15267245 | 10.1021/jm040033f | Unchecked | 3 |
| 12459023 | 10.1021/jm020336e | Delta-type opioid receptor | 2 |
| 12459023 | 10.1021/jm020336e | Mu-type opioid receptor | 2 |
| 12459023 | 10.1021/jm020336e | Unchecked | 1 |
| 15267245 | 10.1021/jm040033f | Delta-type opioid receptor | 1 |
| 15267245 | 10.1021/jm040033f | Mu-type opioid receptor | 1 |
Data from ChEMBL 36 via Core Engine