Compound Detail
CHEMBL4473747
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Basic Information
| ChEMBL ID | CHEMBL4473747 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XPWCRVGWWKLQCK-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
366.1
MW (Da)
0.10
ALogP
6
HBA
6
HBD
200.3
PSA (Ų)
0.37
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.2
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Phosphatidylinositol 3,4,5-trisphosphate 5-phosphatase 2 CHEMBL2331064 | IC50 | 5.2 | 5.175 | 6250.0 | 2 |
| Inositol polyphosphate-5-phosphatase A CHEMBL4243 | IC50 | 4.85 | 4.85 | 14000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Phosphatidylinositol 3,4,5-trisphosphate 5-phosphatase 2 | IC50 | = | 6250.0 | nM | 5.2 | Inhibition of 2-FAM-InsP5 binding to human SHIP2 catalytic domain (419 to 832 re... | 33724834 |
| Phosphatidylinositol 3,4,5-trisphosphate 5-phosphatase 2 | IC50 | = | 7020.0 | nM | 5.15 | Displacement of 2FAMInsP5 from recombinant human N-terminal His-tagged SHIP2 (41... | 32184962 |
| Inositol polyphosphate-5-phosphatase A | IC50 | = | 14000.0 | nM | 4.85 | Inhibition of recombinant human brain INPP5A expressed in Escherichia coli incub... | 32184962 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32184962 | 10.1021/acsmedchemlett.9b00368 | Phosphatidylinositol 3,4,5-trisphosphate 5-phosphatase 2 | 2 |
| 32184962 | 10.1021/acsmedchemlett.9b00368 | Inositol polyphosphate-5-phosphatase A | 1 |
| 33724834 | 10.1021/acs.jmedchem.0c01944 | Phosphatidylinositol 3,4,5-trisphosphate 5-phosphatase 2 | 1 |
Data from ChEMBL 36 via Core Engine