Compound Detail
CHEMBL1522851
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Basic Information
| ChEMBL ID | CHEMBL1522851 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IXDLOPZMHOMLAB-UHFFFAOYSA-N |
3
Targets
4
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
377.3
MW (Da)
1.70
ALogP
9
HBA
2
HBD
157.3
PSA (Ų)
0.50
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 4.86
EC50 1 meas. best 4.74
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Kappa-type opioid receptor CHEMBL237 | IC50 | 4.86 | 4.86 | 13900.0 | 1 |
| Beta-galactosidase CHEMBL1293264 | EC50 | 4.74 | 4.74 | 18150.0 | 1 |
| Protein skinhead-1 CHEMBL2146298 | IC50 | 4.46 | 4.35 | 34700.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Kappa-type opioid receptor | IC50 | = | 13900.0 | nM | 4.86 | PUBCHEM_BIOASSAY: uHTS identification of small molecule antagonists of the kappa... | - |
| Beta-galactosidase | EC50 | = | 18150.0 | nM | 4.74 | PUBCHEM_BIOASSAY: HTS Dose response counterscreen for assays utilizing the enzym... | - |
| Protein skinhead-1 | IC50 | = | 34700.0 | nM | 4.46 | PubChem BioAssay. Dose Response Confirmation of SKN-1 Inhibitor hits in a fluore... | - |
| Protein skinhead-1 | IC50 | = | 57900.0 | nM | 4.24 | PubChem BioAssay. Dose ResponseConfirmation of SKN-1 Inhibitor hits in a fluores... | - |
Data from ChEMBL 36 via Core Engine