Compound Detail
CHEMBL385696
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CC(C)C[C@H](NC(=O)[C@@]1(NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc2ccc(O)cc2)CCc2ccccc2C1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(N)=O
Basic Information
| ChEMBL ID | CHEMBL385696 |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | OFTCNSAONABMAO-YXFRXOEWSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
1345.6
MW (Da)
Drug Information
| Molecule Type | Protein |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 9.05
EC50 1 meas. best 7.14
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Kappa-type opioid receptor CHEMBL3614 | Ki | 9.05 | 9.05 | 0.9 | 1 |
| Mu-type opioid receptor CHEMBL270 | Ki | 7.48 | 7.48 | 32.9 | 1 |
| Kappa-type opioid receptor CHEMBL3614 | EC50 | 7.14 | 7.14 | 72.4 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Kappa-type opioid receptor | Ki | = | 0.89 | nM | 9.05 | Binding affinity towards rat Opioid receptor kappa 1 expressed in CHO cells of c... | 12954053 |
| Mu-type opioid receptor | Ki | = | 32.9 | nM | 7.48 | Binding affinity towards rat Opioid receptor mu 1 expressed in CHO cells of chin... | 12954053 |
| Kappa-type opioid receptor | EC50 | = | 72.4 | nM | 7.14 | Inhibition of Forskolin-Stimulated Adenylyl Cyclase in CHO cells expressing Opio... | 12954053 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12954053 | 10.1021/jm030075o | Kappa-type opioid receptor | 3 |
| 12954053 | 10.1021/jm030075o | Mu-type opioid receptor | 1 |
| 12954053 | 10.1021/jm030075o | Delta-type opioid receptor | 1 |
| 12954053 | 10.1021/jm030075o | Opioid receptors; mu/kappa/delta | 1 |
Data from ChEMBL 36 via Core Engine