Compound Detail
CHEMBL3109126
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Basic Information
| ChEMBL ID | CHEMBL3109126 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XXWFFCFOQNPIOZ-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
322.4
MW (Da)
2.02
ALogP
6
HBA
1
HBD
71.4
PSA (Ų)
0.80
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform CHEMBL3130 | IC50 | 7.62 | 7.62 | 24.0 | 1 |
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform CHEMBL4005 | IC50 | 7.21 | 7.21 | 61.0 | 1 |
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform CHEMBL3267 | IC50 | 6.74 | 6.74 | 183.0 | 1 |
| Serine/threonine-protein kinase mTOR CHEMBL2842 | IC50 | 6.47 | 6.47 | 336.0 | 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 | = | 24.0 | nM | 7.62 | Inhibition of PI3Kdelta (unknown origin) after 1 hr by TR-FRET assay | 24345273 |
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | IC50 | = | 61.0 | nM | 7.21 | Inhibition of PI3Kalpha (unknown origin) after 1 hr by TR-FRET assay | 24345273 |
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | IC50 | = | 183.0 | nM | 6.74 | Inhibition of PI3Kgamma (unknown origin) after 1 hr by TR-FRET assay | 24345273 |
| Serine/threonine-protein kinase mTOR | IC50 | = | 336.0 | nM | 6.47 | Inhibition of mTOR (unknown origin) after 2 hrs by TR-FRET assay | 24345273 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24345273 | 10.1021/jm401138v | Serine/threonine-protein kinase mTOR | 1 |
| 24345273 | 10.1021/jm401138v | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | 1 |
| 24345273 | 10.1021/jm401138v | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | 1 |
| 24345273 | 10.1021/jm401138v | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | 1 |
Data from ChEMBL 36 via Core Engine