Compound Detail
CHEMBL4096255
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL4096255 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OJHAXBSNZUZBEC-DEDYPNTBSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
422.5
MW (Da)
3.28
ALogP
4
HBA
3
HBD
89.9
PSA (Ų)
0.60
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.9
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mu-type opioid receptor CHEMBL233 | IC50 | 5.9 | 5.895 | 1260.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mu-type opioid receptor | IC50 | = | 1260.0 | nM | 5.9 | Antagonist activity at recombinant human MOR expressed in HEK293T cells assessed... | 28726402 |
| Mu-type opioid receptor | IC50 | = | 1288.25 | nM | 5.89 | Antagonist activity at recombinant human MOR expressed in HEK293T cells assessed... | 28726402 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28726402 | 10.1021/acs.jmedchem.7b00643 | Mu-type opioid receptor | 3 |
| 28726402 | 10.1021/acs.jmedchem.7b00643 | Kappa-type opioid receptor | 2 |
| 28726402 | 10.1021/acs.jmedchem.7b00643 | Delta-type opioid receptor | 2 |
Data from ChEMBL 36 via Core Engine