Compound Detail
CHEMBL1760167
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Basic Information
| ChEMBL ID | CHEMBL1760167 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RYLZKJJWQWEHSZ-UHFFFAOYSA-N |
5
Targets
6
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
325.4
MW (Da)
1.69
ALogP
8
HBA
2
HBD
103.8
PSA (Ų)
0.75
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 7.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform CHEMBL3267 | IC50 | 7.52 | 7.52 | 30.0 | 1 |
| Serine/threonine-protein kinase mTOR CHEMBL2842 | IC50 | 6.17 | 5.42 | 680.0 | 2 |
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform CHEMBL3130 | IC50 | 6.15 | 6.15 | 710.0 | 1 |
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform CHEMBL4005 | IC50 | 5.8 | 5.8 | 1600.0 | 1 |
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform CHEMBL3145 | IC50 | 5.62 | 5.62 | 2400.0 | 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 gamma isoform | IC50 | = | 30.0 | nM | 7.52 | Inhibition of PI3Kgamma | 21376583 |
| Serine/threonine-protein kinase mTOR | IC50 | = | 680.0 | nM | 6.17 | Inhibition of mTOR in human U-87 cells assessed as inhibition of phosphorylation... | 21376583 |
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | IC50 | = | 710.0 | nM | 6.15 | Inhibition of PI3Kdelta | 21376583 |
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | IC50 | = | 1600.0 | nM | 5.8 | Inhibition of PI3Kalpha | 21376583 |
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform | IC50 | = | 2400.0 | nM | 5.62 | Inhibition of PI3Kbeta | 21376583 |
| Serine/threonine-protein kinase mTOR | IC50 | = | 21400.0 | nM | 4.67 | Inhibition of mTOR assessed as inhibition of phosphorylation of 4EBP1 by Lantha-... | 21376583 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21376583 | 10.1016/j.bmcl.2011.02.007 | Serine/threonine-protein kinase mTOR | 3 |
| 21376583 | 10.1016/j.bmcl.2011.02.007 | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | 1 |
| 21376583 | 10.1016/j.bmcl.2011.02.007 | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform | 1 |
| 21376583 | 10.1016/j.bmcl.2011.02.007 | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | 1 |
| 21376583 | 10.1016/j.bmcl.2011.02.007 | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | 1 |
Data from ChEMBL 36 via Core Engine