Compound Detail
CHEMBL2387331
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NC(=O)[C@H](CCC(=O)NCC(=O)N(c1ccccc1)C1CCN(CCc2ccccc2)CC1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1
Basic Information
| ChEMBL ID | CHEMBL2387331 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OXWUDPZQSYWZFQ-HDUUNEDUSA-N |
4
Targets
4
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
1059.3
MW (Da)
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.0
Ki 2 meas. best 6.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mu-type opioid receptor CHEMBL270 | Ki | 6.89 | 6.89 | 130.0 | 1 |
| Delta-type opioid receptor CHEMBL236 | Ki | 6.23 | 6.23 | 590.0 | 1 |
| Delta-type opioid receptor CHEMBL3222 | IC50 | 6.0 | 6.0 | 1000.0 | 1 |
| Mu-type opioid receptor CHEMBL4354 | IC50 | 5.68 | 5.68 | 2100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mu-type opioid receptor | Ki | = | 130.0 | nM | 6.89 | Displacement of [3H]DAMGO from rat mu opioid receptor expressed in mouse HN9.10 ... | 23623418 |
| Delta-type opioid receptor | Ki | = | 590.0 | nM | 6.23 | Displacement of [3H]DPDPE from human delta opioid receptor expressed in mouse HN... | 23623418 |
| Delta-type opioid receptor | IC50 | = | 1000.0 | nM | 6.0 | Inhibition of delta opioid receptor in mouse vas deferens assessed as inhibition... | 23623418 |
| Mu-type opioid receptor | IC50 | = | 2100.0 | nM | 5.68 | Inhibition of mu opioid receptor in guinea pig ileum/longitudinal muscle with my... | 23623418 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23623418 | 10.1016/j.bmcl.2013.03.065 | Mu-type opioid receptor | 2 |
| 23623418 | 10.1016/j.bmcl.2013.03.065 | Delta-type opioid receptor | 2 |
Data from ChEMBL 36 via Core Engine