Compound Detail
CHEMBL2337806
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Basic Information
| ChEMBL ID | CHEMBL2337806 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RFZPGNRLOKVZJY-AWEZNQCLSA-N |
1
Targets
3
Activities
2
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
371.9
MW (Da)
5.47
ALogP
3
HBA
1
HBD
38.3
PSA (Ų)
0.62
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.21
Ki 1 meas. best 6.36
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Phosphatidylinositol 3,4,5-trisphosphate 5-phosphatase 2 CHEMBL2331064 | Ki | 6.36 | 6.36 | 440.0 | 1 |
| Phosphatidylinositol 3,4,5-trisphosphate 5-phosphatase 2 CHEMBL2331064 | IC50 | 6.21 | 6.015 | 620.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Phosphatidylinositol 3,4,5-trisphosphate 5-phosphatase 2 | Ki | = | 440.0 | nM | 6.36 | Inhibition of human SHIP2 (419 to 732 residues) expressed in Escherichia coli by... | 33724834 |
| Phosphatidylinositol 3,4,5-trisphosphate 5-phosphatase 2 | IC50 | = | 620.0 | nM | 6.21 | Inhibition of SHIP2 (unknown origin) | 23434638 |
| Phosphatidylinositol 3,4,5-trisphosphate 5-phosphatase 2 | IC50 | = | 1500.0 | nM | 5.82 | Inhibition of human SHIP2 catalytic domain (419 to 832 residues) phosphatase act... | 33724834 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23434638 | 10.1016/j.ejmech.2013.01.014 | Mus musculus | 18 |
| 33724834 | 10.1021/acs.jmedchem.0c01944 | Phosphatidylinositol 3,4,5-trisphosphate 5-phosphatase 2 | 5 |
| 23434638 | 10.1016/j.ejmech.2013.01.014 | Phosphatidylinositol 3,4,5-trisphosphate 5-phosphatase 2 | 3 |
| - | 10.6019/CHEMBL4495565 | SARS-CoV-2 | 2 |
| - | 10.6019/CHEMBL4808148 | Histone deacetylase 6 | 2 |
| - | 10.21203/rs.3.rs-23951/v1 | SARS-CoV-2 | 1 |
| - | 10.6019/CHEMBL4495564 | Replicase polyprotein 1ab | 1 |
| 33724834 | 10.1021/acs.jmedchem.0c01944 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine