Compound Detail
CHEMBL1711389
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 | CHEMBL1711389 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KMARMZLDSPVBTN-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
444.5
MW (Da)
1.98
ALogP
7
HBA
1
HBD
74.9
PSA (Ų)
0.44
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.93
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Kappa-type opioid receptor CHEMBL237 | IC50 | 5.93 | 5.415 | 1170.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Kappa-type opioid receptor | IC50 | = | 1170.0 | nM | 5.93 | PUBCHEM_BIOASSAY: SAR analysis of small molecule antagonists of the kappa opioid... | - |
| Kappa-type opioid receptor | IC50 | = | 12700.0 | nM | 4.9 | PUBCHEM_BIOASSAY: SAR analysis of Antagonists of the Kappa Opioid Receptor (KOR)... | - |
Data from ChEMBL 36 via Core Engine