Compound Detail
CHEMBL268818
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CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NCc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)O
Basic Information
| ChEMBL ID | CHEMBL268818 |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | SCUDNMPTYPZVCN-RSZDUZASSA-N |
6
Targets
12
Activities
2
Assay Types
0
PK Parameters
10
Publications
0
Known Names
Molecular Properties
1452.8
MW (Da)
Drug Information
| Molecule Type | Protein |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 8 meas. best 10.54
IC50 4 meas. best 8.13
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Kappa-type opioid receptor CHEMBL3952 | Ki | 10.54 | 8.7567 | 0.0 | 3 |
| Kappa-type opioid receptor CHEMBL3952 | IC50 | 8.13 | 7.1767 | 7.3 | 3 |
| Kappa-type opioid receptor CHEMBL3614 | Ki | 7.83 | 7.83 | 14.8 | 1 |
| Mu-type opioid receptor CHEMBL270 | Ki | 7.51 | 7.26 | 31.1 | 2 |
| Delta-type opioid receptor CHEMBL269 | Ki | 6.75 | 6.75 | 176.0 | 1 |
| Delta-type opioid receptor CHEMBL3222 | Ki | 6.46 | 6.46 | 345.0 | 1 |
| Cavia porcellus CHEMBL369 | IC50 | 6.0 | 6.0 | 990.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9276018 | 10.1021/jm960747t | Kappa-type opioid receptor | 7 |
| 19807094 | 10.1021/jm900715m | Unchecked | 2 |
| 19807094 | 10.1021/jm900715m | Kappa-type opioid receptor | 2 |
| 9276018 | 10.1021/jm960747t | Mu-type opioid receptor | 1 |
| 9276018 | 10.1021/jm960747t | Delta-type opioid receptor | 1 |
| 9276018 | 10.1021/jm960747t | Cavia porcellus | 1 |
| 9276018 | 10.1021/jm960747t | Opioid receptors; mu/kappa/delta | 1 |
| 9276018 | 10.1021/jm960747t | Unchecked | 1 |
| 19807094 | 10.1021/jm900715m | Delta-type opioid receptor | 1 |
| 19807094 | 10.1021/jm900715m | Mu-type opioid receptor | 1 |
Data from ChEMBL 36 via Core Engine