Compound Detail
CHEMBL1438779
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Basic Information
| ChEMBL ID | CHEMBL1438779 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KUQYXWMNUNVGTK-UHFFFAOYSA-N |
5
Targets
6
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
314.4
MW (Da)
2.13
ALogP
6
HBA
0
HBD
68.1
PSA (Ų)
0.85
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 5 meas. best 4.97
IC50 1 meas. best 4.95
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Zinc finger protein mex-5 CHEMBL1293319 | EC50 | 4.97 | 4.97 | 10682.0 | 1 |
| Type-1 angiotensin II receptor CHEMBL227 | IC50 | 4.95 | 4.95 | 11323.0 | 1 |
| Beta-galactosidase CHEMBL1293264 | EC50 | 4.77 | 4.77 | 16834.0 | 1 |
| Hexokinase-1 CHEMBL2688 | EC50 | 4.68 | 4.68 | 20800.0 | 1 |
| Hexokinase HKDC1 CHEMBL1741200 | EC50 | 4.58 | 4.58 | 26000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Zinc finger protein mex-5 | EC50 | = | 10682.0 | nM | 4.97 | PUBCHEM_BIOASSAY: Fluorescent Polarization Homogeneous Dose Response HTS to Iden... | - |
| Type-1 angiotensin II receptor | IC50 | = | 11323.0 | nM | 4.95 | PUBCHEM_BIOASSAY: Dose Response screen for antagonists of Angiotensin II Recepto... | - |
| Beta-galactosidase | EC50 | = | 16834.0 | nM | 4.77 | PUBCHEM_BIOASSAY: HTS Dose response counterscreen for assays utilizing the enzym... | - |
| Hexokinase-1 | EC50 | = | 20800.0 | nM | 4.68 | PUBCHEM_BIOASSAY: Dose Response confirmation of activators of hexokinase domain ... | - |
| Hexokinase HKDC1 | EC50 | = | 26000.0 | nM | 4.58 | PUBCHEM_BIOASSAY: Dose Response confirmation of activators of hexokinase domain ... | - |
Data from ChEMBL 36 via Core Engine