Compound Detail
CHEMBL1318817
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Basic Information
| ChEMBL ID | CHEMBL1318817 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VOQMETKMNGYFQC-UHFFFAOYSA-N |
6
Targets
8
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
323.2
MW (Da)
3.76
ALogP
6
HBA
0
HBD
43.7
PSA (Ų)
0.81
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 5.05
EC50 2 meas. best 4.57
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| DNA dC->dU-editing enzyme APOBEC-3G CHEMBL1741217 | IC50 | 5.05 | 5.05 | 8830.0 | 1 |
| Glucose-6-phosphate dehydrogenase-6-phosphogluconolactonase CHEMBL1741212 | IC50 | 4.87 | 4.6133 | 13500.0 | 3 |
| Hexokinase HKDC1 CHEMBL1741200 | EC50 | 4.57 | 4.57 | 27200.0 | 1 |
| Hexokinase-1 CHEMBL2688 | EC50 | 4.38 | 4.38 | 41900.0 | 1 |
| Glucose-6-phosphate 1-dehydrogenase CHEMBL5347 | IC50 | 4.16 | 4.16 | 68800.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.04 | 4.04 | 92148.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
Data from ChEMBL 36 via Core Engine