Compound Detail
CHEMBL1339349
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Basic Information
| ChEMBL ID | CHEMBL1339349 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JWUACHIPJWCTHH-UHFFFAOYSA-N |
4
Targets
4
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
340.8
MW (Da)
4.63
ALogP
4
HBA
1
HBD
72.2
PSA (Ų)
0.65
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 4.63
IC50 2 meas. best 4.74
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| DNA dC->dU-editing enzyme APOBEC-3G CHEMBL1741217 | IC50 | 4.74 | 4.74 | 18400.0 | 1 |
| Glucose-6-phosphate dehydrogenase-6-phosphogluconolactonase CHEMBL1741212 | IC50 | 4.73 | 4.73 | 18500.0 | 1 |
| Hexokinase HKDC1 CHEMBL1741200 | EC50 | 4.63 | 4.63 | 23600.0 | 1 |
| Hexokinase-1 CHEMBL2688 | EC50 | 4.33 | 4.33 | 46800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| DNA dC->dU-editing enzyme APOBEC-3G | IC50 | = | 18400.0 | nM | 4.74 | PUBCHEM_BIOASSAY: Dose Response confirmation of small molecule APOBEC3G DNA Deam... | - |
| Glucose-6-phosphate dehydrogenase-6-phosphogluconolactonase | IC50 | = | 18500.0 | nM | 4.73 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS small molecule inhibitors o... | - |
| Hexokinase HKDC1 | EC50 | = | 23600.0 | nM | 4.63 | PUBCHEM_BIOASSAY: Dose Response confirmation of activators of hexokinase domain ... | - |
| Hexokinase-1 | EC50 | = | 46800.0 | nM | 4.33 | PUBCHEM_BIOASSAY: Dose Response confirmation of activators of hexokinase domain ... | - |
Data from ChEMBL 36 via Core Engine