Compound Detail
CHEMBL412600
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CC[C@@H](C)[C@H]1NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@H](NC(=O)[C@@H](Cc2ccccc2)NC(=O)CNC(=O)CNC(=O)[C@H](N)Cc2ccc(O)cc2)CCCCNC(=O)C[C@H](C(=O)N2CCC[C@H]2C(=O)N[C@H](CCCCN)C(N)=O)NC1=O
Basic Information
| ChEMBL ID | CHEMBL412600 |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | AAMCVRWFZKNHTH-AKSNCSMTSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
1317.6
MW (Da)
Drug Information
| Molecule Type | Protein |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Kappa-type opioid receptor CHEMBL3952 | IC50 | 7.0 | 7.0 | 100.0 | 1 |
| Mu-type opioid receptor CHEMBL4354 | IC50 | 6.92 | 6.92 | 120.0 | 1 |
| Delta-type opioid receptor CHEMBL236 | IC50 | 6.82 | 6.82 | 150.0 | 1 |
| Cavia porcellus CHEMBL369 | IC50 | 5.03 | 5.03 | 9300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Kappa-type opioid receptor | IC50 | = | 100.0 | nM | 7.0 | Inhibition of [3H]U-69593 binding to Opioid receptor kappa 1 of plasma membrane ... | 8676350 |
| Mu-type opioid receptor | IC50 | = | 120.0 | nM | 6.92 | Inhibition of [3H]DAMGO binding to Opioid receptor mu 1 of guinea pig brain memb... | 8676350 |
| Delta-type opioid receptor | IC50 | = | 150.0 | nM | 6.82 | Inhibition of [3H]c[D-Pen2,p-Cl-Phe4,D-Pen5]enkephalin binding to delta opioid r... | 8676350 |
| Cavia porcellus | IC50 | = | 9300.0 | nM | 5.03 | 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