Compound Detail
CHEMBL4251492
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Cc1ccccc1-n1c(Cn2nc(-c3ccc4cc(O)ccc4c3)c3c(N)ncnc32)nc2cccc(F)c2c1=O
Basic Information
| ChEMBL ID | CHEMBL4251492 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XWTSGGJKIDYBQM-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
543.6
MW (Da)
5.13
ALogP
9
HBA
2
HBD
124.7
PSA (Ų)
0.32
QED
2
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform CHEMBL3130 | IC50 | 6.64 | 6.64 | 227.0 | 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 | = | 227.0 | nM | 6.64 | 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