Compound Detail
CHEMBL2443279
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Basic Information
| ChEMBL ID | CHEMBL2443279 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JTXOJTRNUCFUMJ-HXUWFJFHSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
356.5
MW (Da)
4.68
ALogP
4
HBA
1
HBD
34.1
PSA (Ų)
0.76
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 7.9
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mu-type opioid receptor CHEMBL233 | EC50 | 7.9 | 7.55 | 12.6 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mu-type opioid receptor | EC50 | = | 12.59 | nM | 7.9 | Agonist activity at human mu opioid receptor expressed in HEK293 cells assessed ... | 24063433 |
| Mu-type opioid receptor | EC50 | = | 63.1 | nM | 7.2 | Agonist activity at human mu opioid receptor expressed in HEK293 cells assessed ... | 24063433 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24063433 | 10.1021/jm4010829 | Mu-type opioid receptor | 4 |
Data from ChEMBL 36 via Core Engine