Compound Detail
CHEMBL5081948
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O=P(O)(O)Oc1cc(F)c(-c2cc(OP(=O)(O)O)c(OP(=O)(O)O)cc2F)cc1OP(=O)(O)O
Basic Information
| ChEMBL ID | CHEMBL5081948 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VYMXQMGWIPASSN-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
574.1
MW (Da)
1.52
ALogP
8
HBA
8
HBD
267.0
PSA (Ų)
0.20
QED
2
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.21
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Phosphatidylinositol 3,4,5-trisphosphate 5-phosphatase 2 CHEMBL2331064 | IC50 | 7.21 | 5.8433 | 61.0 | 3 |
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 | = | 61.0 | nM | 7.21 | 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 | = | 2500.0 | nM | 5.6 | Inhibition of human SHIP2 catalytic domain (419 to 832 residues) phosphatase act... | 33724834 |
| Phosphatidylinositol 3,4,5-trisphosphate 5-phosphatase 2 | IC50 | = | 19100.0 | nM | 4.72 | Inhibition of human SHIP2 catalytic domain (419 to 832 residues) phosphatase act... | 33724834 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33724834 | 10.1021/acs.jmedchem.0c01944 | Phosphatidylinositol 3,4,5-trisphosphate 5-phosphatase 2 | 3 |
Data from ChEMBL 36 via Core Engine