Compound Detail
CHEMBL3354566
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Cn1c(=O)n(-c2ccc(C3(C#N)CC3)cc2)c2c3cc(-c4cnc5ccccc5c4)ccc3ncc21
Basic Information
| ChEMBL ID | CHEMBL3354566 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MPZUHFMONDTNMH-UHFFFAOYSA-N |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
467.5
MW (Da)
5.65
ALogP
6
HBA
0
HBD
76.5
PSA (Ų)
0.34
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 8.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine/threonine-protein kinase mTOR CHEMBL2842 | IC50 | 8.7 | 8.7 | 2.0 | 1 |
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform CHEMBL4005 | IC50 | 8.15 | 8.15 | 7.0 | 1 |
| Phosphatidylinositol 4-phosphate 3-kinase C2 domain-containing subunit alpha CHEMBL1075102 | IC50 | 7.47 | 7.47 | 34.0 | 1 |
| Phosphatidylinositol 4-phosphate 3-kinase C2 domain-containing subunit beta CHEMBL5554 | IC50 | 7.36 | 7.36 | 44.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 6.35 | 6.35 | 450.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serine/threonine-protein kinase mTOR | IC50 | = | 2.0 | nM | 8.7 | Inhibition of human mTOR by non-radiometric ADP-Glo assay | 25589915 |
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | IC50 | = | 7.0 | nM | 8.15 | Inhibition of human PI3KCalpha by non-radiometric ADP-Glo assay | 25589915 |
| Phosphatidylinositol 4-phosphate 3-kinase C2 domain-containing subunit alpha | IC50 | = | 34.0 | nM | 7.47 | Inhibition of human PI3KC2alpha by non-radiometric ADP-Glo assay | 25589915 |
| Phosphatidylinositol 4-phosphate 3-kinase C2 domain-containing subunit beta | IC50 | = | 44.0 | nM | 7.36 | Inhibition of human PI3KC2beta by non-radiometric ADP-Glo assay | 25589915 |
| Unchecked | IC50 | = | 450.0 | nM | 6.35 | Inhibition of human class 3 PI3K by non-radiometric ADP-Glo assay | 25589915 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25589915 | 10.1021/ml500354e | Phosphatidylinositol 4-phosphate 3-kinase C2 domain-containing subunit beta | 1 |
| 25589915 | 10.1021/ml500354e | Phosphatidylinositol 4-phosphate 3-kinase C2 domain-containing subunit alpha | 1 |
| 25589915 | 10.1021/ml500354e | Phosphatidylinositol 3-kinase C2 domain-containing subunit gamma | 1 |
| 25589915 | 10.1021/ml500354e | Unchecked | 1 |
| 25589915 | 10.1021/ml500354e | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | 1 |
| 25589915 | 10.1021/ml500354e | Serine/threonine-protein kinase mTOR | 1 |
Data from ChEMBL 36 via Core Engine