Compound Detail
CHEMBL1708074
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Basic Information
| ChEMBL ID | CHEMBL1708074 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HAODYRSOCXZKBJ-UHFFFAOYSA-N |
4
Targets
4
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
508.6
MW (Da)
2.07
ALogP
14
HBA
0
HBD
122.3
PSA (Ų)
0.34
QED
2
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 4.48
IC50 2 meas. best 5.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glucose-6-phosphate dehydrogenase-6-phosphogluconolactonase CHEMBL1741212 | IC50 | 5.85 | 5.85 | 1400.0 | 1 |
| C-C chemokine receptor type 6 CHEMBL4423 | IC50 | 4.54 | 4.54 | 28500.0 | 1 |
| Hexokinase HKDC1 CHEMBL1741200 | EC50 | 4.48 | 4.48 | 33100.0 | 1 |
| Hexokinase-1 CHEMBL2688 | EC50 | 4.3 | 4.3 | 49600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glucose-6-phosphate dehydrogenase-6-phosphogluconolactonase | IC50 | = | 1400.0 | nM | 5.85 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS small molecule inhibitors o... | - |
| C-C chemokine receptor type 6 | IC50 | = | 28500.0 | nM | 4.54 | PUBCHEM_BIOASSAY: Dose Response confirmation of small molecule antagonists of th... | - |
| Hexokinase HKDC1 | EC50 | = | 33100.0 | nM | 4.48 | PUBCHEM_BIOASSAY: Dose Response confirmation of activators of hexokinase domain ... | - |
| Hexokinase-1 | EC50 | = | 49600.0 | nM | 4.3 | PUBCHEM_BIOASSAY: Dose Response confirmation of activators of hexokinase domain ... | - |
Data from ChEMBL 36 via Core Engine