Compound Detail
CHEMBL4469876
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Basic Information
| ChEMBL ID | CHEMBL4469876 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OZEVUWLUKNYTLV-UHFFFAOYSA-N |
7
Targets
9
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
346.4
MW (Da)
2.69
ALogP
5
HBA
1
HBD
77.5
PSA (Ų)
0.90
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 9 meas. best 7.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| PI3-kinase p110-delta/p85-alpha CHEMBL2111432 | IC50 | 7.4 | 7.4 | 39.8 | 1 |
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform CHEMBL3130 | IC50 | 7.4 | 6.45 | 39.8 | 2 |
| PI3K p110 beta/p85 alpha CHEMBL3038510 | IC50 | 6.4 | 6.4 | 398.1 | 1 |
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform CHEMBL3145 | IC50 | 6.4 | 6.4 | 398.1 | 1 |
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform CHEMBL3267 | IC50 | 5.9 | 5.9 | 1258.9 | 2 |
| PI3-kinase p110-alpha/p85-alpha CHEMBL2111367 | IC50 | 5.7 | 5.7 | 1995.3 | 1 |
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform CHEMBL4005 | IC50 | 5.7 | 5.7 | 1995.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30532965 | 10.1021/acs.jmedchem.8b01556 | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | 1 |
| 30532965 | 10.1021/acs.jmedchem.8b01556 | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | 1 |
| 30532965 | 10.1021/acs.jmedchem.8b01556 | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform | 1 |
| 30532965 | 10.1021/acs.jmedchem.8b01556 | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | 1 |
| 34510892 | 10.1021/acs.jmedchem.1c01102 | PI3-kinase p110-delta/p85-alpha | 1 |
| 34510892 | 10.1021/acs.jmedchem.1c01102 | PI3-kinase p110-alpha/p85-alpha | 1 |
| 34510892 | 10.1021/acs.jmedchem.1c01102 | PI3K p110 beta/p85 alpha | 1 |
| 34510892 | 10.1021/acs.jmedchem.1c01102 | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | 1 |
| 34510892 | 10.1021/acs.jmedchem.1c01102 | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | 1 |
Data from ChEMBL 36 via Core Engine