Compound Detail
CHEMBL375069
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NC(=O)[C@@H](Cc1cccc2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1
Basic Information
| ChEMBL ID | CHEMBL375069 |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | MDZXNEFZMWHDRL-RACKDBBVSA-N |
1
Targets
1
Activities
1
Assay Types
1
PK Parameters
3
Publications
0
Known Names
Molecular Properties
621.7
MW (Da)
2.35
ALogP
6
HBA
5
HBD
167.8
PSA (Ų)
0.16
QED
1
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Protein |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 1 meas. best 7.95
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mu-type opioid receptor CHEMBL233 | Kd | 7.95 | 7.95 | 11.2 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| Ke | 1250.0 | nM | Cavia porcellus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mu-type opioid receptor | Kd | = | 11.22 | nM | 7.95 | Antagonist activity against mu opioid receptor assessed as effect on endomorphin... | 17266203 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17266203 | 10.1021/jm060998u | Mu-type opioid receptor | 3 |
| 17266203 | 10.1021/jm060998u | Delta-type opioid receptor | 3 |
| 17266203 | 10.1021/jm060998u | Mus musculus | 3 |
Data from ChEMBL 36 via Core Engine