Compound Detail
CHEMBL1672328
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Basic Information
| ChEMBL ID | CHEMBL1672328 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XZTYTIOLZIKUJR-UHFFFAOYSA-N |
7
Targets
7
Activities
2
Assay Types
4
PK Parameters
9
Publications
0
Known Names
Molecular Properties
380.4
MW (Da)
1.50
ALogP
10
HBA
2
HBD
124.2
PSA (Ų)
0.67
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 8.05
EC50 2 meas. best 7.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform CHEMBL3267 | IC50 | 8.05 | 8.05 | 9.0 | 1 |
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform CHEMBL3130 | IC50 | 7.7 | 7.7 | 20.0 | 1 |
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform CHEMBL4005 | EC50 | 7.05 | 7.05 | 90.0 | 1 |
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform CHEMBL3145 | IC50 | 7.04 | 7.04 | 92.0 | 1 |
| A2780 CHEMBL614004 | EC50 | 6.14 | 6.14 | 730.0 | 1 |
| Serine/threonine-protein kinase mTOR CHEMBL2842 | IC50 | 5.4 | 5.4 | 4000.0 | 1 |
| Phosphatidylinositol 4-kinase beta CHEMBL3268 | IC50 | 5.3 | 5.3 | 5000.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 760.82 | ng.hr.mL-1 | Mus musculus |
| CL | 99.0 | mL.min-1.kg-1 | Mus musculus |
| F | 87.0 | % | Mus musculus |
| T1/2 | 4.7 | hr | Mus musculus |
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 | = | 9.0 | nM | 8.05 | Inhibition of PI3Kgamma after 15 mins | 24900252 |
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | IC50 | = | 20.0 | nM | 7.7 | Inhibition of PI3Kdelta after 15 mins | 24900252 |
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | EC50 | = | 90.0 | nM | 7.05 | Inhibition of PI3Kalpha-mediated Akt phosphorylation at Ser473 in human A2780 ce... | 24900252 |
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform | IC50 | = | 92.0 | nM | 7.04 | Inhibition of PI3Kbeta after 15 mins | 24900252 |
| A2780 | EC50 | = | 730.0 | nM | 6.14 | Antiproliferative activity against human A2780 cells | 24900252 |
| Serine/threonine-protein kinase mTOR | IC50 | = | 4000.0 | nM | 5.4 | Inhibition of mTOR after 15 mins | 24900252 |
| Phosphatidylinositol 4-kinase beta | IC50 | = | 5000.0 | nM | 5.3 | Inhibition of PI4Kbeta after 15 mins | 24900252 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24900252 | 10.1021/ml1001932 | A2780 | 6 |
| 24900252 | 10.1021/ml1001932 | Mus musculus | 5 |
| 24900252 | 10.1021/ml1001932 | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | 2 |
| 24900252 | 10.1021/ml1001932 | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform | 1 |
| 24900252 | 10.1021/ml1001932 | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | 1 |
| 24900252 | 10.1021/ml1001932 | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | 1 |
| 24900252 | 10.1021/ml1001932 | Phosphatidylinositol 4-kinase beta | 1 |
| 24900252 | 10.1021/ml1001932 | Serine/threonine-protein kinase mTOR | 1 |
| 24900252 | 10.1021/ml1001932 | Phosphatidylinositol 3-kinase catalytic subunit type 3 | 1 |
Data from ChEMBL 36 via Core Engine