Compound Detail
CHEMBL584596
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CC(C)C[C@H](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)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C)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 | CHEMBL584596 |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | IQXCSYDWAVSEGS-LDLDISLLSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
1409.7
MW (Da)
Drug Information
| Molecule Type | Protein |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 8.33
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Kappa-type opioid receptor CHEMBL3614 | Ki | 8.33 | 8.33 | 4.6 | 1 |
| Mu-type opioid receptor CHEMBL270 | Ki | 7.29 | 7.29 | 51.2 | 1 |
| Delta-type opioid receptor CHEMBL3222 | Ki | 6.43 | 6.43 | 372.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Kappa-type opioid receptor | Ki | = | 4.64 | nM | 8.33 | Displacement of [3H]diprenorphine from rat kappa opioid receptor expressed in CH... | 19807094 |
| Mu-type opioid receptor | Ki | = | 51.2 | nM | 7.29 | Displacement of [3H]DAMGO from rat mu opioid receptor expressed in CHO cells | 19807094 |
| Delta-type opioid receptor | Ki | = | 372.0 | nM | 6.43 | Displacement of [3H]DPDPE from mouse delta opioid receptor expressed in CHO cell... | 19807094 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 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