Compound Detail
CHEMBL5423819
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COc1ccc(-c2nn(C(C)c3nn(-c4cccnc4)c4cc(Cl)ccc34)c3ncnc(N)c23)cc1
Basic Information
| ChEMBL ID | CHEMBL5423819 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PQXWGYIBULKYPP-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
497.0
MW (Da)
5.08
ALogP
9
HBA
1
HBD
109.6
PSA (Ų)
0.35
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.74
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform CHEMBL3130 | IC50 | 8.74 | 8.74 | 1.8 | 1 |
| Peritoneal macrophage CHEMBL5314330 | IC50 | 5.47 | 5.41 | 3410.0 | 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 | = | 1.8 | nM | 8.74 | Inhibition of PI3Kdelta (unknown origin) using PIP2:PS as substrate in presence ... | 37606563 |
| Peritoneal macrophage | IC50 | = | 3410.0 | nM | 5.47 | Antiinflammatory activity against LPS-stimulated mouse primary peritoneal macrop... | 37606563 |
| Peritoneal macrophage | IC50 | = | 4510.0 | nM | 5.35 | Antiinflammatory activity against LPS-stimulated mouse primary peritoneal macrop... | 37606563 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37606563 | 10.1021/acs.jmedchem.3c00508 | Peritoneal macrophage | 5 |
| 37606563 | 10.1021/acs.jmedchem.3c00508 | Unchecked | 3 |
| 37606563 | 10.1021/acs.jmedchem.3c00508 | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | 1 |
Data from ChEMBL 36 via Core Engine