Compound Detail
CHEMBL5196839
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Basic Information
| ChEMBL ID | CHEMBL5196839 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XQBXGQQMODBCII-KRWDZBQOSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
467.6
MW (Da)
4.36
ALogP
8
HBA
1
HBD
89.5
PSA (Ų)
0.58
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform CHEMBL3130 | IC50 | 7.52 | 7.52 | 30.0 | 1 |
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform CHEMBL4005 | IC50 | 6.14 | 6.14 | 718.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | IC50 | = | 30.0 | nM | 7.52 | Inhibition of PI3Kdelta (unknown origin) using PIP2 as substrate measured after ... | 35609190 |
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | IC50 | = | 718.0 | nM | 6.14 | Inhibition of PI3Kalpha (unknown origin) using PIP2 as substrate measured after ... | 35609190 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35609190 | 10.1021/acs.jmedchem.2c00530 | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | 1 |
| 35609190 | 10.1021/acs.jmedchem.2c00530 | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | 1 |
| 35609190 | 10.1021/acs.jmedchem.2c00530 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine