Compound Detail
CHEMBL2375954
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Cc1nc(N)nc2c1cc(-c1cnn(C)c1)c(=O)n2[C@H]1CC[C@H](OCC(N)=O)CC1
Basic Information
| ChEMBL ID | CHEMBL2375954 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LOYNAYXFINASCA-HDJSIYSDSA-N |
3
Targets
3
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
411.5
MW (Da)
1.07
ALogP
9
HBA
2
HBD
143.9
PSA (Ų)
0.64
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.32
Ki 1 meas. best 7.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform CHEMBL2499 | Ki | 7.66 | 7.66 | 21.8 | 1 |
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform CHEMBL4005 | IC50 | 7.32 | 7.32 | 47.9 | 1 |
| RAC-alpha serine/threonine-protein kinase CHEMBL4282 | IC50 | 6.42 | 6.42 | 376.0 | 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 alpha isoform | Ki | = | 21.8 | nM | 7.66 | Inhibition of mouse PI3Kalpha | 23506825 |
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | IC50 | = | 47.9 | nM | 7.32 | Biochemical Assay: Compounds of the present invention were evaluated for potency... | - |
| RAC-alpha serine/threonine-protein kinase | IC50 | = | 376.0 | nM | 6.42 | Inhibition of AKT phosphorylation at Ser 473 in human BT20 cells | 23506825 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23506825 | 10.1016/j.bmcl.2013.02.020 | RAC-alpha serine/threonine-protein kinase | 1 |
| 23506825 | 10.1016/j.bmcl.2013.02.020 | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | 1 |
Data from ChEMBL 36 via Core Engine