Compound Detail
CHEMBL5505905
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C[C@H](c1cnn(Cc2ccccc2)c(=O)c1C1CCCC1)n1nc(-c2cncc(O)c2)c2c(N)ncnc21
Basic Information
| ChEMBL ID | CHEMBL5505905 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DRNLTPZVKYHLED-QGZVFWFLSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
508.6
MW (Da)
4.05
ALogP
10
HBA
2
HBD
137.6
PSA (Ų)
0.35
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform CHEMBL3130 | Ki | 7.4 | 7.4 | 39.8 | 1 |
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform CHEMBL3145 | Ki | 6.6 | 6.6 | 251.2 | 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 | = | 39.81 | nM | 7.4 | Inhibition of recombinant human PI3Kdelta using L-alpha-phosphatidylinositol sod... | 38907711 |
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform | Ki | = | 251.19 | nM | 6.6 | Inhibition of recombinant human PI3Kbeta using L-alpha-phosphatidylinositol sodi... | 38907711 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38907711 | 10.1021/acs.jmedchem.4c00610 | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | 1 |
| 38907711 | 10.1021/acs.jmedchem.4c00610 | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | 1 |
| 38907711 | 10.1021/acs.jmedchem.4c00610 | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform | 1 |
| 38907711 | 10.1021/acs.jmedchem.4c00610 | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | 1 |
Data from ChEMBL 36 via Core Engine