Compound Detail
CHEMBL1375373
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Basic Information
| ChEMBL ID | CHEMBL1375373 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UYDFJWPIIYVVAF-UHFFFAOYSA-N |
3
Targets
5
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
277.3
MW (Da)
4.97
ALogP
4
HBA
1
HBD
57.8
PSA (Ų)
0.67
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.78
EC50 2 meas. best 5.95
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | EC50 | 5.95 | 5.95 | 1129.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.78 | 5.7 | 1660.0 | 2 |
| Hexokinase HKDC1 CHEMBL1741200 | EC50 | 4.66 | 4.66 | 21700.0 | 1 |
| Type-1 angiotensin II receptor CHEMBL227 | IC50 | 4.45 | 4.45 | 35254.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | EC50 | = | 1129.0 | nM | 5.95 | PUBCHEM_BIOASSAY: Luminescence Cell-Based/Microorganism Dose Confirmation HTS to... | - |
| Unchecked | IC50 | = | 1660.0 | nM | 5.78 | PUBCHEM_BIOASSAY: HTS Counterscreen for Detection of Compound Cytotoxicity in MI... | - |
| Unchecked | IC50 | = | 2410.0 | nM | 5.62 | PUBCHEM_BIOASSAY: HCS for Compounds that Down-Regulate Insulin Promoter Activity... | - |
| Hexokinase HKDC1 | EC50 | = | 21700.0 | nM | 4.66 | PUBCHEM_BIOASSAY: Dose Response confirmation of activators of hexokinase domain ... | - |
| Type-1 angiotensin II receptor | IC50 | = | 35254.0 | nM | 4.45 | PUBCHEM_BIOASSAY: Dose Response screen for antagonists of Angiotensin II Recepto... | - |
Data from ChEMBL 36 via Core Engine