Compound Detail
CHEMBL3197021
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Basic Information
| ChEMBL ID | CHEMBL3197021 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XLOFTZPVFHISJO-BUVRLJJBSA-N |
3
Targets
3
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
352.4
MW (Da)
4.06
ALogP
4
HBA
1
HBD
67.2
PSA (Ų)
0.44
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.34
EC50 1 meas. best 5.23
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Kappa-type opioid receptor CHEMBL237 | IC50 | 5.34 | 5.34 | 4590.0 | 1 |
| Unchecked CHEMBL612545 | EC50 | 5.23 | 5.23 | 5910.0 | 1 |
| Type-1 angiotensin II receptor CHEMBL227 | IC50 | 5.11 | 5.11 | 7788.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Kappa-type opioid receptor | IC50 | = | 4590.0 | nM | 5.34 | PUBCHEM_BIOASSAY: uHTS identification of small molecule antagonists of the kappa... | - |
| Unchecked | EC50 | = | 5910.0 | nM | 5.23 | PUBCHEM_BIOASSAY: Dose response confirmation of small molecule activators of the... | - |
| Type-1 angiotensin II receptor | IC50 | = | 7788.0 | nM | 5.11 | PUBCHEM_BIOASSAY: Dose Response screen for antagonists of Angiotensin II Recepto... | - |
Data from ChEMBL 36 via Core Engine