Compound Detail
CHEMBL1698123
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Basic Information
| ChEMBL ID | CHEMBL1698123 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BFXLBNPIMRUZFI-UHFFFAOYSA-N |
6
Targets
11
Activities
1
Assay Types
0
PK Parameters
17
Publications
0
Known Names
Molecular Properties
261.7
MW (Da)
3.71
ALogP
3
HBA
0
HBD
22.0
PSA (Ų)
0.65
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 11 meas. best 5.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Hexokinase CHEMBL1741201 | IC50 | 5.72 | 5.72 | 1901.0 | 1 |
| Mannose-6-phosphate isomerase CHEMBL2758 | IC50 | 5.46 | 5.3667 | 3430.0 | 3 |
| Glucose-6-phosphate dehydrogenase-6-phosphogluconolactonase CHEMBL1741212 | IC50 | 5.38 | 5.03 | 4180.0 | 3 |
| Phosphoethanolamine/phosphocholine phosphatase CHEMBL6113 | IC50 | 5.28 | 5.28 | 5200.0 | 2 |
| Glucose-6-phosphate 1-dehydrogenase CHEMBL5347 | IC50 | 4.89 | 4.89 | 13000.0 | 1 |
| Phosphomannomutase 2 CHEMBL1741162 | IC50 | 4.22 | 4.22 | 59600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
Data from ChEMBL 36 via Core Engine