Compound Detail
CHEMBL1727349
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Basic Information
| ChEMBL ID | CHEMBL1727349 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WBIBAACEZLKVDU-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
323.3
MW (Da)
2.82
ALogP
6
HBA
3
HBD
88.0
PSA (Ų)
0.56
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.81
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.81 | 5.31 | 1563.0 | 2 |
| Hexokinase HKDC1 CHEMBL1741200 | IC50 | 5.02 | 4.8 | 9510.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 1563.0 | nM | 5.81 | PubChem BioAssay. Counterscreen for inhibitors of LEDGF/p75-dependent integratio... | - |
| Hexokinase HKDC1 | IC50 | = | 9510.0 | nM | 5.02 | PUBCHEM_BIOASSAY: Dose Response confirmation of inhibitors of hexokinase domain ... | - |
| Unchecked | IC50 | = | 15482.0 | nM | 4.81 | PubChem BioAssay. TR-FRET-based biochemical high throughput dose response assay ... | - |
| Hexokinase HKDC1 | IC50 | = | 26200.0 | nM | 4.58 | PUBCHEM_BIOASSAY: Dose Response confirmation of inhibitors of hexokinase domain ... | - |
Data from ChEMBL 36 via Core Engine