Compound Detail
CHEMBL2371034
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CC(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1[C@H](C(=O)N[C@H](CCCN=C(N)N)C(=O)N[C@@H](Cc2ccc(Cl)cc2)C(N)=O)CC[C@@H]1C(C)(C)C
Basic Information
| ChEMBL ID | CHEMBL2371034 |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | RSJSSGMHBRBBPN-KJHJJVNRSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
1006.7
MW (Da)
Drug Information
| Molecule Type | Protein |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 6.55
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Kappa-type opioid receptor CHEMBL237 | Ki | 6.55 | 6.55 | 282.0 | 1 |
| Mu-type opioid receptor CHEMBL233 | Ki | 6.43 | 6.43 | 368.0 | 1 |
| Nociceptin receptor CHEMBL2014 | Ki | 5.77 | 5.77 | 1700.0 | 1 |
| Delta-type opioid receptor CHEMBL236 | Ki | 5.63 | 5.63 | 2340.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Kappa-type opioid receptor | Ki | = | 282.0 | nM | 6.55 | Binding affinity for opioid receptor type, human Opioid receptor kappa 1 express... | 12431062 |
| Mu-type opioid receptor | Ki | = | 368.0 | nM | 6.43 | Binding affinity for opioid receptor type, human Opioid receptor mu 1 expressed ... | 12431062 |
| Nociceptin receptor | Ki | = | 1700.0 | nM | 5.77 | Binding affinity for opioid receptor like type, human Opioid receptor like 1 exp... | 12431062 |
| Delta-type opioid receptor | Ki | = | 2340.0 | nM | 5.63 | Binding affinity for opioid receptor type, human Opioid receptor delta 1 express... | 12431062 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12431062 | 10.1021/jm020078l | Kappa-type opioid receptor | 1 |
| 12431062 | 10.1021/jm020078l | Mu-type opioid receptor | 1 |
| 12431062 | 10.1021/jm020078l | Delta-type opioid receptor | 1 |
| 12431062 | 10.1021/jm020078l | Nociceptin receptor | 1 |
Data from ChEMBL 36 via Core Engine