Compound Detail
CHEMBL4249850
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COc1ccc(-c2nn(Cc3nc4cccc(F)c4c(=O)n3-c3ccccc3C)c3ncnc(N)c23)cc1OC
Basic Information
| ChEMBL ID | CHEMBL4249850 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KFESJNODSOOMQN-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
537.6
MW (Da)
4.29
ALogP
10
HBA
1
HBD
123.0
PSA (Ų)
0.33
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.58
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform CHEMBL3130 | IC50 | 7.58 | 7.58 | 26.0 | 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 | IC50 | = | 26.0 | nM | 7.58 | Inhibition of PI3Kdelta (unknown origin) using Biotin-S11S12 as substrate after ... | 29601991 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29601991 | 10.1016/j.ejmech.2018.03.068 | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | 2 |
Data from ChEMBL 36 via Core Engine