Compound Detail
CHEMBL2373014
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NCCCC[C@H](NC(=O)[C@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)O
Basic Information
| ChEMBL ID | CHEMBL2373014 |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | HOHGNWXRMOTGET-IMJQSTHTSA-N |
5
Targets
5
Activities
2
Assay Types
4
PK Parameters
6
Publications
0
Known Names
Molecular Properties
1508.8
MW (Da)
Drug Information
| Molecule Type | Protein |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 7.69
IC50 2 meas. best 7.16
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mu-type opioid receptor CHEMBL270 | Ki | 7.69 | 7.69 | 20.3 | 1 |
| Kappa-type opioid receptor CHEMBL3952 | Ki | 7.69 | 7.69 | 20.6 | 1 |
| Mu-type opioid receptor CHEMBL4354 | IC50 | 7.16 | 7.16 | 69.0 | 1 |
| Delta-type opioid receptor CHEMBL269 | Ki | 6.52 | 6.52 | 303.0 | 1 |
| Delta-type opioid receptor CHEMBL236 | IC50 | 5.37 | 5.37 | 4320.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| Ke | 4.9 | nM | Cavia porcellus |
| Ke | 13.9 | nM | Cavia porcellus |
| Ke | - | - | Cricetulus griseus |
| Ke | 199.0 | nM | Oryctolagus cuniculus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mu-type opioid receptor | Ki | = | 20.3 | nM | 7.69 | Compound was evaluated for the inhibition of [3H]DAGO([[3H]D-Ala,MePhe4,Glyol5]e... | 2876099 |
| Kappa-type opioid receptor | Ki | = | 20.6 | nM | 7.69 | Compound was evaluated for the inhibition of [3H]bremazocine binding to Opioid r... | 2876099 |
| Mu-type opioid receptor | IC50 | = | 69.0 | nM | 7.16 | Compound was evaluated for the agonistic activity against Opioid receptor mu 1 i... | 2876099 |
| Delta-type opioid receptor | Ki | = | 303.0 | nM | 6.52 | Compound was evaluated for the inhibition of [3H]DSLET([[3H]D-Ser2,Leu5,Thr6]enk... | 2876099 |
| Delta-type opioid receptor | IC50 | = | 4320.0 | nM | 5.37 | Compound was evaluated for the agonistic activity against Opioid receptor delta ... | 2876099 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2876099 | 10.1021/jm00160a019 | Mu-type opioid receptor | 4 |
| 2876099 | 10.1021/jm00160a019 | Delta-type opioid receptor | 4 |
| 2876099 | 10.1021/jm00160a019 | Kappa-type opioid receptor | 4 |
| 2876099 | 10.1021/jm00160a019 | Cavia porcellus | 2 |
| 2876099 | 10.1021/jm00160a019 | Cricetinae gen. sp. | 1 |
| 2876099 | 10.1021/jm00160a019 | Oryctolagus cuniculus | 1 |
Data from ChEMBL 36 via Core Engine