Compound Detail
CHEMBL1423597
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Basic Information
| ChEMBL ID | CHEMBL1423597 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CMQRVSPKRIIKTM-UHFFFAOYSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
261.7
MW (Da)
1.77
ALogP
5
HBA
0
HBD
67.9
PSA (Ų)
0.83
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.14
EC50 1 meas. best 5.49
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | EC50 | 5.49 | 5.49 | 3230.0 | 1 |
| Kappa-type opioid receptor CHEMBL237 | IC50 | 5.14 | 4.995 | 7210.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | EC50 | = | 3230.0 | nM | 5.49 | PUBCHEM_BIOASSAY: Dose response confirmation of small molecule activators of the... | - |
| Kappa-type opioid receptor | IC50 | = | 7210.0 | nM | 5.14 | PUBCHEM_BIOASSAY: uHTS identification of small molecule antagonists of the kappa... | - |
| Kappa-type opioid receptor | IC50 | = | 14021.0 | nM | 4.85 | PUBCHEM_BIOASSAY: HTS Image-Based Screen for Selective Antagonists of the KOR Re... | - |
Data from ChEMBL 36 via Core Engine