Compound Detail
CHEMBL5087243
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O=P(O)(O)Oc1cc(-c2cc(OP(=O)(O)O)c(OP(=O)(O)O)c(OP(=O)(O)O)c2)cc(OP(=O)(O)O)c1OP(=O)(O)O
Basic Information
| ChEMBL ID | CHEMBL5087243 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XJTGIQJLTGTMQT-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
730.1
MW (Da)
0.18
ALogP
12
HBA
12
HBD
400.6
PSA (Ų)
0.12
QED
3
Ro5 Violations
13
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Phosphatidylinositol 3,4,5-trisphosphate 5-phosphatase 2 CHEMBL2331064 | IC50 | 7.64 | 6.6 | 23.0 | 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 | = | 23.0 | nM | 7.64 | 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 | = | 700.0 | nM | 6.16 | Inhibition of human SHIP2 catalytic domain (419 to 832 residues) phosphatase act... | 33724834 |
| Phosphatidylinositol 3,4,5-trisphosphate 5-phosphatase 2 | IC50 | = | 1000.0 | nM | 6.0 | 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