Compound Detail
CHEMBL2216881
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CN(C)CC(=O)N[C@H]1CC[C@H](Nc2nc(N3CCOCC3)nc(-n3c(C(F)F)nc4ccccc43)n2)CC1
Basic Information
| ChEMBL ID | CHEMBL2216881 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OBDDEQXAEVVWAT-QAQDUYKDSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
529.6
MW (Da)
2.39
ALogP
10
HBA
2
HBD
113.3
PSA (Ų)
0.45
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 9.21
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform CHEMBL3130 | IC50 | 9.21 | 8.825 | 0.6 | 2 |
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 | = | 0.62 | nM | 9.21 | Inhibition of PI3Kdelta in human B-cells assessed as inhibition of anti-IgM-indu... | 22924688 |
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | IC50 | = | 3.6 | nM | 8.44 | Inhibition of PI3Kdelta | 22924688 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22924688 | 10.1021/jm300847w | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | 2 |
| 22924688 | 10.1021/jm300847w | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine