Compound Detail
CHEMBL500766
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C[C@@H](O)[C@H](NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)[C@H](CS)NC(=O)[C@H](N)Cc1ccccc1)[C@@H](C)O)C(C)(C)S)C(=O)O
Basic Information
| ChEMBL ID | CHEMBL500766 |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | CENQCEJVMTZQSP-IDNNGIEASA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
1107.3
MW (Da)
Drug Information
| Molecule Type | Protein |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 8.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mu-type opioid receptor CHEMBL233 | Ki | 8.7 | 8.7 | 2.0 | 1 |
| Kappa-type opioid receptor CHEMBL237 | Ki | 6.0 | 6.0 | 1012.7 | 1 |
| Delta-type opioid receptor CHEMBL236 | Ki | 5.84 | 5.84 | 1441.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mu-type opioid receptor | Ki | = | 2.02 | nM | 8.7 | Displacement of [3H]DAMGO from mu opioid receptor expressed in CHO cells | 19217280 |
| Kappa-type opioid receptor | Ki | = | 1012.7 | nM | 6.0 | Displacement of [3H]norBNI from kappa opioid receptor expressed in CHO cells | 19217280 |
| Delta-type opioid receptor | Ki | = | 1441.0 | nM | 5.84 | Displacement of [3H]NTI from delta opioid receptor expressed in CHO cells | 19217280 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19217280 | 10.1016/j.bmcl.2008.12.093 | Unchecked | 2 |
| 19217280 | 10.1016/j.bmcl.2008.12.093 | Mu-type opioid receptor | 2 |
| 19217280 | 10.1016/j.bmcl.2008.12.093 | Delta-type opioid receptor | 1 |
| 19217280 | 10.1016/j.bmcl.2008.12.093 | Kappa-type opioid receptor | 1 |
Data from ChEMBL 36 via Core Engine