Compound Detail
CHEMBL1553074
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Basic Information
| ChEMBL ID | CHEMBL1553074 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GYTPXLRERYNOMJ-UHFFFAOYSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
285.7
MW (Da)
3.86
ALogP
4
HBA
0
HBD
68.9
PSA (Ų)
0.41
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.05
EC50 1 meas. best 4.9
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Kappa-type opioid receptor CHEMBL237 | IC50 | 5.05 | 4.8 | 8950.0 | 2 |
| Unchecked CHEMBL612545 | EC50 | 4.9 | 4.9 | 12500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Kappa-type opioid receptor | IC50 | = | 8950.0 | nM | 5.05 | PUBCHEM_BIOASSAY: uHTS identification of small molecule antagonists of the kappa... | - |
| Unchecked | EC50 | = | 12500.0 | nM | 4.9 | PUBCHEM_BIOASSAY: Dose response confirmation of small molecule activators of the... | - |
| Kappa-type opioid receptor | IC50 | = | 27936.0 | nM | 4.55 | PUBCHEM_BIOASSAY: HTS Image-Based Screen for Selective Antagonists of the KOR Re... | - |
Data from ChEMBL 36 via Core Engine