Compound Detail
CHEMBL5596476
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Basic Information
| ChEMBL ID | CHEMBL5596476 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XWTGOBYAMGRVHH-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
472.4
MW (Da)
4.02
ALogP
7
HBA
2
HBD
102.7
PSA (Ų)
0.39
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.12
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform CHEMBL3267 | IC50 | 8.12 | 8.12 | 7.5 | 1 |
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform CHEMBL3130 | IC50 | 7.2 | 7.2 | 62.6 | 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 gamma isoform | IC50 | = | 7.5 | nM | 8.12 | Inhibition of PI3Kgamma (unknown origin) using PI3:PS as substrate incubated for... | 39163191 |
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | IC50 | = | 62.6 | nM | 7.2 | Inhibition of PI3Kdelta (unknown origin) using PI3:PS as substrate incubated for... | 39163191 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 39163191 | 10.1021/acs.jmedchem.4c00817 | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | 1 |
| 39163191 | 10.1021/acs.jmedchem.4c00817 | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | 1 |
| 39163191 | 10.1021/acs.jmedchem.4c00817 | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | 1 |
Data from ChEMBL 36 via Core Engine