Compound Detail
CHEMBL3403672
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Basic Information
| ChEMBL ID | CHEMBL3403672 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZJFRHIYVCNDELB-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
385.4
MW (Da)
3.85
ALogP
7
HBA
2
HBD
113.4
PSA (Ų)
0.55
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.06
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform CHEMBL3130 | IC50 | 8.06 | 8.06 | 8.8 | 1 |
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform CHEMBL3267 | IC50 | 5.96 | 5.96 | 1100.0 | 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 | = | 8.8 | nM | 8.06 | Inhibition of PI3Kdelta (unknown origin) by biochemical Alphascreen assay | 25666823 |
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | IC50 | = | 1100.0 | nM | 5.96 | Inhibition of PI3Kgamma (unknown origin) by biochemical Alphascreen assay | 25666823 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25666823 | 10.1016/j.bmcl.2015.01.001 | Nuclear receptor subfamily 1 group I member 2 | 1 |
| 25666823 | 10.1016/j.bmcl.2015.01.001 | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | 1 |
| 25666823 | 10.1016/j.bmcl.2015.01.001 | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | 1 |
| 25666823 | 10.1016/j.bmcl.2015.01.001 | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform | 1 |
| 25666823 | 10.1016/j.bmcl.2015.01.001 | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | 1 |
Data from ChEMBL 36 via Core Engine