Compound Detail
CHEMBL277132
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CC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CC(=O)O)NC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@@H]1C(=O)N[C@H](CCCCN)C(N)=O
Basic Information
| ChEMBL ID | CHEMBL277132 |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | UIMVBCHLURBLDP-ARLUFQQFSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
1391.7
MW (Da)
Drug Information
| Molecule Type | Protein |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.33
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Kappa-type opioid receptor CHEMBL3952 | IC50 | 7.33 | 7.33 | 47.0 | 1 |
| Mu-type opioid receptor CHEMBL4354 | IC50 | 6.18 | 6.18 | 660.0 | 1 |
| Delta-type opioid receptor CHEMBL236 | IC50 | 6.06 | 6.06 | 870.0 | 1 |
| Cavia porcellus CHEMBL369 | IC50 | 5.31 | 5.31 | 4900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Kappa-type opioid receptor | IC50 | = | 47.0 | nM | 7.33 | Inhibition of [3H]U-69593 binding to Opioid receptor kappa 1 of plasma membrane ... | 8676350 |
| Mu-type opioid receptor | IC50 | = | 660.0 | nM | 6.18 | Inhibition of [3H]DAMGO binding to Opioid receptor mu 1 of guinea pig brain memb... | 8676350 |
| Delta-type opioid receptor | IC50 | = | 870.0 | nM | 6.06 | Inhibition of [3H]c[D-Pen2,p-Cl-Phe4,D-Pen5]enkephalin binding to delta opioid r... | 8676350 |
| Cavia porcellus | IC50 | = | 4900.0 | nM | 5.31 | Ability to inhibit the electrically evoked contraction of the guinea pig ileum | 8676350 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8676350 | 10.1021/jm950369c | Kappa-type opioid receptor | 2 |
| 8676350 | 10.1021/jm950369c | Mu-type opioid receptor | 1 |
| 8676350 | 10.1021/jm950369c | Delta-type opioid receptor | 1 |
| 8676350 | 10.1021/jm950369c | Cavia porcellus | 1 |
| 8676350 | 10.1021/jm950369c | Opioid receptors; mu & kappa | 1 |
| 8676350 | 10.1021/jm950369c | Opioid receptors; delta & kappa | 1 |
Data from ChEMBL 36 via Core Engine