Compound Detail
CHEMBL274400
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C[C@@H](O)[C@H](NC(=O)[C@@H]1NC(=O)[C@@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](NC(=O)[C@H](N)Cc2ccccc2)CSSC1(C)C)C(N)=O
Basic Information
| ChEMBL ID | CHEMBL274400 |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | VSEYLDNPHYTJMJ-AVTOYXFISA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
1076.3
MW (Da)
Drug Information
| Molecule Type | Protein |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.13
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Rattus norvegicus CHEMBL376 | IC50 | 6.13 | 6.13 | 740.0 | 1 |
| Mu-type opioid receptor CHEMBL270 | IC50 | 5.87 | 5.87 | 1350.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Rattus norvegicus | IC50 | = | 740.0 | nM | 6.13 | Compound was evaluated for the inhibition of binding of [125I]CGP23996 to rat br... | 2878079 |
| Mu-type opioid receptor | IC50 | = | 1350.0 | nM | 5.87 | Inhibition of binding of [3H]-naloxone to Opioid receptor mu 1 of rat brain memb... | 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