Compound Detail
CHEMBL3976330
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Basic Information
| ChEMBL ID | CHEMBL3976330 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YVERZYXYCFMZNA-AWEZNQCLSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
442.4
MW (Da)
3.25
ALogP
7
HBA
2
HBD
107.3
PSA (Ų)
0.44
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform CHEMBL3267 | IC50 | 7.3 | 7.3 | 50.0 | 1 |
| PI3-kinase p110-delta/p85-alpha CHEMBL2111432 | IC50 | 6.28 | 6.28 | 530.0 | 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 gamma isoform | IC50 | = | 50.0 | nM | 7.3 | Inhibition of human recombinant full length N-terminal His-tagged PI3Kgamma expr... | 27660692 |
| PI3-kinase p110-delta/p85-alpha | IC50 | = | 530.0 | nM | 6.28 | Inhibition of human recombinant full length N-terminal GST-tagged PI3K p110delta... | 27660692 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27660692 | 10.1021/acsmedchemlett.6b00238 | PI3-kinase p110-delta/p85-alpha | 1 |
| 27660692 | 10.1021/acsmedchemlett.6b00238 | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | 1 |
Data from ChEMBL 36 via Core Engine