Compound Detail
CHEMBL4747671
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CCCCCCCCCCCCCCCC(=O)NCCCN1C(=O)CC(SC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc2ccc(O)cc2)C(N)=O)C1=O
Basic Information
| ChEMBL ID | CHEMBL4747671 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PQNMDRSESKVMOM-MSDKKNTMSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
1050.4
MW (Da)
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 8.39
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mu-type opioid receptor CHEMBL233 | EC50 | 8.39 | 7.515 | 4.1 | 2 |
| Delta-type opioid receptor CHEMBL236 | EC50 | 8.09 | 7.485 | 8.1 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mu-type opioid receptor | EC50 | = | 4.074 | nM | 8.39 | Agonist activity at MOP (unknown origin) expressed in SH-SY5Y cell membranes co-... | 32901477 |
| Delta-type opioid receptor | EC50 | = | 8.128 | nM | 8.09 | Agonist activity at DOP (unknown origin) expressed in SH-SY5Y cell membranes co-... | 32901477 |
| Delta-type opioid receptor | EC50 | = | 131.83 | nM | 6.88 | Agonist activity at DOP (unknown origin) expressed in SH-SY5Y cell membranes co-... | 32901477 |
| Mu-type opioid receptor | EC50 | = | 229.09 | nM | 6.64 | Agonist activity at MOP (unknown origin) expressed in SH-SY5Y cell membranes co-... | 32901477 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32901477 | 10.1021/acs.jmedchem.9b02057 | Mu-type opioid receptor | 5 |
| 32901477 | 10.1021/acs.jmedchem.9b02057 | Delta-type opioid receptor | 5 |
Data from ChEMBL 36 via Core Engine