Compound Detail
CHEMBL267211
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NC(=O)[C@@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1
Basic Information
| ChEMBL ID | CHEMBL267211 |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | PXTYYNQYSIYWFW-SSGXOEHOSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
660.8
MW (Da)
2.83
ALogP
6
HBA
6
HBD
183.6
PSA (Ų)
0.12
QED
2
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Protein |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.61
IC50 1 meas. best 5.46
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mu-type opioid receptor CHEMBL233 | EC50 | 6.61 | 6.61 | 248.0 | 1 |
| Mu-type opioid receptor CHEMBL4354 | IC50 | 5.46 | 5.46 | 3470.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mu-type opioid receptor | EC50 | = | 248.0 | nM | 6.61 | Activity at mu opioid receptor assessed as increase in calcium level in CHO cell... | 17266203 |
| Mu-type opioid receptor | IC50 | = | 3470.0 | nM | 5.46 | Agonist activity at mu opioid receptor by inhibition of electrically evoked musc... | 17266203 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17266203 | 10.1021/jm060998u | Delta-type opioid receptor | 4 |
| 17266203 | 10.1021/jm060998u | Mu-type opioid receptor | 3 |
Data from ChEMBL 36 via Core Engine