Compound Detail
CHEMBL407529
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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(=O)O
Basic Information
| ChEMBL ID | CHEMBL407529 |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | SCUDNMPTYPZVCN-NRCLYKANSA-N |
7
Targets
7
Activities
2
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
1452.8
MW (Da)
Drug Information
| Molecule Type | Protein |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 6 meas. best 10.54
IC50 1 meas. best 6.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Kappa-type opioid receptor CHEMBL3952 | Ki | 10.54 | 10.54 | 0.0 | 1 |
| Kappa-type opioid receptor CHEMBL3614 | Ki | 7.81 | 7.81 | 15.5 | 1 |
| Mu-type opioid receptor CHEMBL4354 | Ki | 7.51 | 7.51 | 31.1 | 1 |
| Mu-type opioid receptor CHEMBL270 | Ki | 6.8 | 6.8 | 159.0 | 1 |
| Delta-type opioid receptor CHEMBL236 | Ki | 6.75 | 6.75 | 176.0 | 1 |
| Delta-type opioid receptor CHEMBL3222 | Ki | 6.01 | 6.01 | 970.0 | 1 |
| Opioid receptors; mu/kappa/delta CHEMBL2095181 | IC50 | 6.0 | 6.0 | 990.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Kappa-type opioid receptor | Ki | = | 0.029 | nM | 10.54 | Tested for inhibitory effect on binding of [3H]bremazocine to opioid receptor ka... | 1361580 |
| Kappa-type opioid receptor | Ki | = | 15.5 | nM | 7.81 | Displacement of [3H]diprenorphine from rat kappa opioid receptor expressed in CH... | 19807094 |
| Mu-type opioid receptor | Ki | = | 31.1 | nM | 7.51 | Tested for inhibitory effect on binding of [3H]DAMGO to opioid receptor mu in gu... | 1361580 |
| Mu-type opioid receptor | Ki | = | 159.0 | nM | 6.8 | Displacement of [3H]DAMGO from rat mu opioid receptor expressed in CHO cells | 19807094 |
| Delta-type opioid receptor | Ki | = | 176.0 | nM | 6.75 | Tested for inhibitory effect on binding of [3H]DPDPE to opioid receptor delta in... | 1361580 |
| Delta-type opioid receptor | Ki | = | 970.0 | nM | 6.01 | Displacement of [3H]DPDPE from mouse delta opioid receptor expressed in CHO cell... | 19807094 |
| Opioid receptors; mu/kappa/delta | IC50 | = | 990.0 | nM | 6.0 | Tested for opioid receptor agonistic activity in guinea pig ileum | 1361580 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1361580 | 10.1021/jm00102a019 | Opioid receptors; mu/kappa/delta | 2 |
| 19807094 | 10.1021/jm900715m | Unchecked | 2 |
| 19807094 | 10.1021/jm900715m | Kappa-type opioid receptor | 2 |
| 1361580 | 10.1021/jm00102a019 | Kappa-type opioid receptor | 1 |
| 1361580 | 10.1021/jm00102a019 | Mu-type opioid receptor | 1 |
| 1361580 | 10.1021/jm00102a019 | Delta-type opioid receptor | 1 |
| 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