Compound Detail
CHEMBL1586491
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Basic Information
| ChEMBL ID | CHEMBL1586491 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MFUHDDMCSUSJSX-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
315.4
MW (Da)
3.35
ALogP
5
HBA
0
HBD
75.8
PSA (Ų)
0.64
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 4.69
IC50 1 meas. best 4.84
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Kappa-type opioid receptor CHEMBL237 | IC50 | 4.84 | 4.84 | 14400.0 | 1 |
| Beta-galactosidase CHEMBL1293264 | EC50 | 4.69 | 4.69 | 20350.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Kappa-type opioid receptor | IC50 | = | 14400.0 | nM | 4.84 | PUBCHEM_BIOASSAY: uHTS identification of small molecule antagonists of the kappa... | - |
| Beta-galactosidase | EC50 | = | 20350.0 | nM | 4.69 | PUBCHEM_BIOASSAY: HTS Dose response counterscreen for assays utilizing the enzym... | - |
Data from ChEMBL 36 via Core Engine