Compound Detail
CHEMBL6021192
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Nc1ncc(-c2cc(N3CCN(c4ccccc4)C3=O)nc(N3CCOCC3)n2)c(C(F)(F)F)n1
Basic Information
| ChEMBL ID | CHEMBL6021192 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MOWPSXBLFARAPT-UHFFFAOYSA-N |
5
Targets
6
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
486.5
MW (Da)
2.82
ALogP
8
HBA
1
HBD
113.6
PSA (Ų)
0.60
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 7.04
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform CHEMBL4005 | IC50 | 7.04 | 7.04 | 91.0 | 1 |
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform CHEMBL3145 | IC50 | 6.63 | 6.63 | 236.0 | 1 |
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform CHEMBL5169092 | IC50 | 6.22 | 6.22 | 606.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.83 | 5.815 | 1470.0 | 2 |
| Serine/threonine-protein kinase mTOR CHEMBL2842 | IC50 | 5.48 | 5.48 | 3300.0 | 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 alpha isoform | IC50 | = | 91.0 | nM | 7.04 | Biochemical Assays for PI3Kalpha, PI3Kbeta: The luminescence-based ATP detection... | - |
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform | IC50 | = | 236.0 | nM | 6.63 | Biochemical Assays for PI3Kalpha, PI3Kbeta: The luminescence-based ATP detection... | - |
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | IC50 | = | 606.0 | nM | 6.22 | AlphaScreen (Amplified Luminescent Proximity Homogeneous Assay, ALPHA, Perkin El... | - |
| Unchecked | IC50 | = | 1470.0 | nM | 5.83 | AlphaScreen (Amplified Luminescent Proximity Homogeneous Assay, ALPHA, Perkin El... | - |
| Unchecked | IC50 | = | 1580.0 | nM | 5.8 | AlphaScreen (Amplified Luminescent Proximity Homogeneous Assay, ALPHA, Perkin El... | - |
| Serine/threonine-protein kinase mTOR | IC50 | = | 3300.0 | nM | 5.48 | Biochemical Assay for mTOR: TR-FRET assays for protein kinases uses a long-lifet... | - |
Data from ChEMBL 36 via Core Engine