Compound Detail
CHEMBL1762789
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Basic Information
| ChEMBL ID | CHEMBL1762789 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LMQMCAIBWQKCOB-UHFFFAOYSA-N |
5
Targets
6
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
317.4
MW (Da)
2.84
ALogP
7
HBA
2
HBD
94.5
PSA (Ų)
0.60
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 6.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine/threonine-protein kinase mTOR CHEMBL2842 | IC50 | 6.72 | 6.55 | 190.0 | 2 |
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform CHEMBL4005 | IC50 | 6.58 | 6.58 | 260.0 | 1 |
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform CHEMBL3130 | IC50 | 6.44 | 6.44 | 360.0 | 1 |
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform CHEMBL3267 | IC50 | 6.33 | 6.33 | 470.0 | 1 |
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform CHEMBL3145 | IC50 | 6.0 | 6.0 | 1000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serine/threonine-protein kinase mTOR | IC50 | = | 190.0 | nM | 6.72 | Inhibition of mTOR in human U-87 cells assessed as inhibition of phosphorylation... | 21376583 |
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | IC50 | = | 260.0 | nM | 6.58 | Inhibition of PI3Kalpha | 21376583 |
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | IC50 | = | 360.0 | nM | 6.44 | Inhibition of PI3Kdelta | 21376583 |
| Serine/threonine-protein kinase mTOR | IC50 | = | 420.0 | nM | 6.38 | Inhibition of mTOR assessed as inhibition of phosphorylation of 4EBP1 by Lantha-... | 21376583 |
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | IC50 | = | 470.0 | nM | 6.33 | Inhibition of PI3Kgamma | 21376583 |
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform | IC50 | = | 1000.0 | nM | 6.0 | Inhibition of PI3Kbeta | 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