Compound Detail
CHEMBL5077763
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Basic Information
| ChEMBL ID | CHEMBL5077763 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NPDJGFAEJDZABQ-JOCHJYFZSA-N |
1
Targets
2
Activities
1
Assay Types
1
PK Parameters
2
Publications
0
Known Names
Molecular Properties
398.6
MW (Da)
4.71
ALogP
5
HBA
1
HBD
43.4
PSA (Ų)
0.72
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 8.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mu-type opioid receptor CHEMBL233 | EC50 | 8.7 | 8.135 | 2.0 | 2 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 229.6 | mL.min-1.kg-1 | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mu-type opioid receptor | EC50 | = | 2.0 | nM | 8.7 | Agonist activity at mu opioid receptor (unknown origin) assessed as increase in ... | 34802839 |
| Mu-type opioid receptor | EC50 | = | 27.0 | nM | 7.57 | Agonist activity at mu opioid receptor (unknown origin) assessed as beta arresti... | 34802839 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34802839 | 10.1016/j.ejmech.2021.113986 | Mu-type opioid receptor | 4 |
| 34802839 | 10.1016/j.ejmech.2021.113986 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine