Compound Detail
CHEMBL5401404
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COc1ccc(-c2nn(C(C)c3nn(-c4cccc(S(C)(=O)=O)c4)c4cc(Cl)ccc34)c3ncnc(N)c23)cc1F
Basic Information
| ChEMBL ID | CHEMBL5401404 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NKLIITQXKFRLOS-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
592.1
MW (Da)
5.23
ALogP
10
HBA
1
HBD
130.8
PSA (Ų)
0.28
QED
2
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.97
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform CHEMBL3130 | IC50 | 7.97 | 7.97 | 10.7 | 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 | IC50 | = | 10.7 | nM | 7.97 | Inhibition of PI3Kdelta (unknown origin) using PIP2:PS as substrate in presence ... | 37606563 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37606563 | 10.1021/acs.jmedchem.3c00508 | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | 1 |
Data from ChEMBL 36 via Core Engine