Compound Detail
CHEMBL4582553
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Basic Information
| ChEMBL ID | CHEMBL4582553 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BPSGDTCNRHWJQU-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
446.6
MW (Da)
3.65
ALogP
8
HBA
1
HBD
85.3
PSA (Ų)
0.61
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.38
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform CHEMBL3130 | IC50 | 7.38 | 7.38 | 42.0 | 1 |
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform CHEMBL4005 | IC50 | 5.21 | 5.21 | 6100.0 | 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 | = | 42.0 | nM | 7.38 | Inhibition of recombinant human PI3Kdelta using PIP2 as substrate after 35 to 40... | 30755348 |
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | IC50 | = | 6100.0 | nM | 5.21 | Inhibition of human PI3Kalpha using phosphatidyl inositol as substrate after 3 h... | 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 |
Data from ChEMBL 36 via Core Engine