Compound Detail
CHEMBL2414296
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CCc1nc2ccccc2n1-c1nc(N2CCOCC2)c2nc(C(=O)N3CCC(C(C)(C)O)CC3)n(C)c2n1
Basic Information
| ChEMBL ID | CHEMBL2414296 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KVHVEZBOOQCIIR-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
532.6
MW (Da)
2.72
ALogP
10
HBA
1
HBD
114.4
PSA (Ų)
0.42
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.28
Ki 1 meas. best 8.51
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform CHEMBL3130 | Ki | 8.51 | 8.51 | 3.1 | 1 |
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform CHEMBL3130 | IC50 | 7.28 | 7.28 | 52.8 | 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 | Ki | = | 3.1 | nM | 8.51 | Inhibition of PI3Kdelta (unknown origin) assessed as formation of PIP3 by compet... | 23867164 |
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | IC50 | = | 52.8 | nM | 7.28 | Inhibition of PI3Kdelta in human whole blood assessed as expression of CD69 in B... | 23867164 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23867164 | 10.1016/j.bmcl.2013.06.052 | Unchecked | 3 |
| 23867164 | 10.1016/j.bmcl.2013.06.052 | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | 2 |
Data from ChEMBL 36 via Core Engine