Compound Detail
CHEMBL2414295
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CCc1nc2ccccc2n1-c1nc(N2CCOCC2)c2sc(C(=O)N3CCN(C(C)(C)C(N)=O)CC3)c(C)c2n1
Basic Information
| ChEMBL ID | CHEMBL2414295 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QTICLDNEBJPUTR-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
576.7
MW (Da)
2.76
ALogP
10
HBA
1
HBD
122.7
PSA (Ų)
0.37
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.9
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform CHEMBL3130 | Ki | 7.9 | 7.9 | 12.7 | 1 |
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform CHEMBL4005 | Ki | 6.8 | 6.8 | 157.0 | 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 | Ki | = | 12.7 | nM | 7.9 | Inhibition of PI3Kdelta (unknown origin) assessed as formation of PIP3 by compet... | 23867164 |
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | Ki | = | 157.0 | nM | 6.8 | Inhibition of PI3Kalpha (unknown origin) assessed as formation of PIP3 by compet... | 23867164 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23867164 | 10.1016/j.bmcl.2013.06.052 | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | 1 |
| 23867164 | 10.1016/j.bmcl.2013.06.052 | Unchecked | 1 |
| 23867164 | 10.1016/j.bmcl.2013.06.052 | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | 1 |
Data from ChEMBL 36 via Core Engine