Compound Detail
CHEMBL5203174
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Basic Information
| ChEMBL ID | CHEMBL5203174 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NBNDZHLPEOMAMK-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
384.8
MW (Da)
3.16
ALogP
3
HBA
2
HBD
86.7
PSA (Ų)
0.83
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Inositol hexakisphosphate kinase 3 CHEMBL4523431 | IC50 | 8.1 | 8.1 | 8.0 | 1 |
| Inositol hexakisphosphate kinase 2 CHEMBL4523488 | IC50 | 7.6 | 7.6 | 25.0 | 1 |
| Inositol hexakisphosphate kinase 1 CHEMBL4523418 | IC50 | 7.57 | 7.57 | 27.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Inositol hexakisphosphate kinase 3 | IC50 | = | 8.0 | nM | 8.1 | Inhibition of recombinant full length human IP6K3 assessed as inorganic phosphat... | 35467861 |
| Inositol hexakisphosphate kinase 2 | IC50 | = | 25.0 | nM | 7.6 | Inhibition of recombinant full length human IP6K2 assessed as inorganic phosphat... | 35467861 |
| Inositol hexakisphosphate kinase 1 | IC50 | = | 27.0 | nM | 7.57 | Inhibition of recombinant full length human IP6K1 assessed as inorganic phosphat... | 35467861 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35467861 | 10.1021/acs.jmedchem.2c00220 | Inositol hexakisphosphate kinase 1 | 2 |
| 35467861 | 10.1021/acs.jmedchem.2c00220 | Inositol hexakisphosphate kinase 2 | 1 |
| 35467861 | 10.1021/acs.jmedchem.2c00220 | Inositol hexakisphosphate kinase 3 | 1 |
Data from ChEMBL 36 via Core Engine