Compound Detail
CHEMBL584594
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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(N)=O
Basic Information
| ChEMBL ID | CHEMBL584594 |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | KBFNUKJAFUQQIV-RSZDUZASSA-N |
4
Targets
6
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
1451.8
MW (Da)
Drug Information
| Molecule Type | Protein |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 6 meas. best 8.09
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Kappa-type opioid receptor CHEMBL3614 | Ki | 8.09 | 8.09 | 8.2 | 1 |
| Unchecked CHEMBL612545 | Ki | 8.09 | 7.16 | 8.2 | 3 |
| Mu-type opioid receptor CHEMBL270 | Ki | 7.07 | 7.07 | 84.9 | 1 |
| Delta-type opioid receptor CHEMBL3222 | Ki | 6.32 | 6.32 | 474.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 8.17 | nM | 8.09 | Inhibition of [3H]diprenorphine binding to kappa opioid receptor expressed in CH... | 15999987 |
| Kappa-type opioid receptor | Ki | = | 8.17 | nM | 8.09 | Displacement of [3H]diprenorphine from rat kappa opioid receptor expressed in CH... | 19807094 |
| Unchecked | Ki | = | 84.9 | nM | 7.07 | Inhibition of [3H]DAMGO ([D-Ala2,NMePhe4,glyol]-enkephalin) binding to mu opioid... | 15999987 |
| Mu-type opioid receptor | Ki | = | 84.9 | nM | 7.07 | Displacement of [3H]DAMGO from rat mu opioid receptor expressed in CHO cells | 19807094 |
| Unchecked | Ki | = | 474.0 | nM | 6.32 | Inhibition of [3H]-DPDPE (cyclo[D-Pen2,D-Pen5]enkep halin) binding to delta opio... | 15999987 |
| Delta-type opioid receptor | Ki | = | 474.0 | nM | 6.32 | Displacement of [3H]DPDPE from mouse delta opioid receptor expressed in CHO cell... | 19807094 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15999987 | 10.1021/jm050105i | Unchecked | 5 |
| 19807094 | 10.1021/jm900715m | Unchecked | 2 |
| 19807094 | 10.1021/jm900715m | Kappa-type opioid receptor | 2 |
| 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