Compound Detail
CHEMBL4514389
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Basic Information
| ChEMBL ID | CHEMBL4514389 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YOKBBQBEOHOIER-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
431.5
MW (Da)
2.98
ALogP
8
HBA
2
HBD
88.1
PSA (Ų)
0.64
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| B-cell CHEMBL614701 | IC50 | 7.62 | 7.62 | 24.0 | 1 |
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform CHEMBL3130 | IC50 | 7.6 | 7.6 | 25.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| B-cell | IC50 | = | 24.0 | nM | 7.62 | Antiproliferative activity against anti-IgM antibody-stimulated BALB/c mouse B c... | 30755348 |
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | IC50 | = | 25.0 | nM | 7.6 | Inhibition of recombinant human PI3Kdelta using PIP2 as substrate after 35 to 40... | 30755348 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30755348 | 10.1016/j.bmc.2019.02.001 | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | 1 |
| 30755348 | 10.1016/j.bmc.2019.02.001 | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | 1 |
| 30755348 | 10.1016/j.bmc.2019.02.001 | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform | 1 |
| 30755348 | 10.1016/j.bmc.2019.02.001 | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | 1 |
| 30755348 | 10.1016/j.bmc.2019.02.001 | B-cell | 1 |
Data from ChEMBL 36 via Core Engine