Compound Detail
CHEMBL414541
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CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)N(C)C(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)O
Basic Information
| ChEMBL ID | CHEMBL414541 |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | MJZVYHXPHQEPQQ-FKPOJLNCSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
1823.1
MW (Da)
Drug Information
| Molecule Type | Protein |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.39
Ki 1 meas. best 7.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Nociceptin receptor CHEMBL2014 | Ki | 7.7 | 7.7 | 20.0 | 1 |
| Nociceptin receptor CHEMBL2014 | EC50 | 6.39 | 6.39 | 407.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Nociceptin receptor | Ki | = | 20.0 | nM | 7.7 | Affinity for human Opioid receptor like 1 (ORL-1) expressed in HEK293 cells | 12431054 |
| Nociceptin receptor | EC50 | = | 407.0 | nM | 6.39 | Affinity for human Opioid receptor like 1 (ORL-1) expressed in HEK293 cells | 12431054 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12431054 | 10.1021/jm0202021 | Nociceptin receptor | 3 |
Data from ChEMBL 36 via Core Engine