Compound Detail
CHEMBL3634916
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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(N)=O)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(N)=O
Basic Information
| ChEMBL ID | CHEMBL3634916 |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | ABLBVXXQFFWRTE-GTPRAIOTSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
1452.7
MW (Da)
Drug Information
| Molecule Type | Protein |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 6.38
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Kappa-type opioid receptor CHEMBL3614 | Ki | 6.38 | 6.38 | 412.0 | 1 |
| Mu-type opioid receptor CHEMBL270 | Ki | 5.61 | 5.61 | 2440.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Kappa-type opioid receptor | Ki | = | 412.0 | nM | 6.38 | Displacement of [3H]diprenorphine from rat kappa-opioid receptor expressed in CH... | 26491810 |
| Mu-type opioid receptor | Ki | = | 2440.0 | nM | 5.61 | Displacement of [3H]DAMGO from rat mu-opioid receptor expressed in CHO cells aft... | 26491810 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26491810 | 10.1021/jm501827k | Kappa-type opioid receptor | 2 |
| 26491810 | 10.1021/jm501827k | Mu-type opioid receptor | 1 |
| 26491810 | 10.1021/jm501827k | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine