Compound Detail
CHEMBL425806
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CC[C@H](C)[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(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)NCC1CC1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCCN)C(=O)O
Basic Information
| ChEMBL ID | CHEMBL425806 |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | CFPWTFGNSPUUJD-GZFUILBVSA-N |
4
Targets
4
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
1416.7
MW (Da)
Drug Information
| Molecule Type | Protein |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 10.7
IC50 1 meas. best 8.67
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Kappa-type opioid receptor CHEMBL3952 | Ki | 10.7 | 10.7 | 0.0 | 1 |
| Opioid receptors; mu/kappa/delta CHEMBL2095181 | IC50 | 8.67 | 8.67 | 2.2 | 1 |
| Mu-type opioid receptor CHEMBL4354 | Ki | 8.02 | 8.02 | 9.6 | 1 |
| Delta-type opioid receptor CHEMBL236 | Ki | 6.25 | 6.25 | 558.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Kappa-type opioid receptor | Ki | = | 0.02 | nM | 10.7 | Tested for inhibitory effect on binding of [3H]bremazocine to opioid receptor ka... | 1361580 |
| Opioid receptors; mu/kappa/delta | IC50 | = | 2.16 | nM | 8.67 | Tested for opioid receptor agonistic activity in guinea pig ileum | 1361580 |
| Mu-type opioid receptor | Ki | = | 9.6 | nM | 8.02 | Tested for inhibitory effect on binding of [3H]DAMGO to opioid receptor mu in gu... | 1361580 |
| Delta-type opioid receptor | Ki | = | 558.0 | nM | 6.25 | Tested for inhibitory effect on binding of [3H]DPDPE to opioid receptor delta in... | 1361580 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1361580 | 10.1021/jm00102a019 | Opioid receptors; mu/kappa/delta | 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 |
| 1361580 | 10.1021/jm00102a019 | Cavia porcellus | 1 |
Data from ChEMBL 36 via Core Engine