Compound Detail
CHEMBL440061
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C[C@@H](O)[C@H](NC(=O)[C@H]1CSSC(C)(C)[C@H](NC(=O)[C@H](N)c2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@H]([C@@H](C)O)C(=O)N1)C(=O)O
Basic Information
| ChEMBL ID | CHEMBL440061 |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | OEGHPXWUWKEXCF-WJMAAKBCSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
1047.3
MW (Da)
Drug Information
| Molecule Type | Protein |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.02
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Rattus norvegicus CHEMBL376 | IC50 | 6.02 | 6.02 | 947.0 | 1 |
| Mu-type opioid receptor CHEMBL270 | IC50 | 5.68 | 5.68 | 2100.0 | 1 |
| Delta-type opioid receptor CHEMBL269 | IC50 | 4.5 | 4.5 | 32000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Rattus norvegicus | IC50 | = | 947.0 | nM | 6.02 | Compound was evaluated for the inhibition of binding of [125I]CGP23996 to rat br... | 2878079 |
| Mu-type opioid receptor | IC50 | = | 2100.0 | nM | 5.68 | Inhibition of binding of [3H]-naloxone to Opioid receptor mu 1 of rat brain memb... | 2878079 |
| Delta-type opioid receptor | IC50 | = | 32000.0 | nM | 4.5 | Inhibition of [3H]-DPDPE binding to Opioid receptor delta 1 of rat brain membran... | 2878079 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2878079 | 10.1021/jm00161a037 | Mu-type opioid receptor | 1 |
| 2878079 | 10.1021/jm00161a037 | Delta-type opioid receptor | 1 |
| 2878079 | 10.1021/jm00161a037 | Rattus norvegicus | 1 |
| 2878079 | 10.1021/jm00161a037 | Opioid receptors; mu & delta | 1 |
| 2878079 | 10.1021/jm00161a037 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine