Compound Detail
CHEMBL5805802
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
CC1C(c2cccnc2)OC(=O)N1c1cc(-c2cnc(N)nc2C(F)(F)F)nc(N2CCOCC2)n1
Basic Information
| ChEMBL ID | CHEMBL5805802 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KATQJQKVBJYYEE-UHFFFAOYSA-N |
4
Targets
5
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
502.5
MW (Da)
2.85
ALogP
10
HBA
1
HBD
132.5
PSA (Ų)
0.57
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 8.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform CHEMBL4005 | IC50 | 8.0 | 8.0 | 10.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 7.96 | 7.275 | 11.0 | 2 |
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform CHEMBL3145 | IC50 | 7.82 | 7.82 | 15.0 | 1 |
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform CHEMBL5169092 | IC50 | 7.54 | 7.54 | 29.0 | 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 | = | 10.0 | nM | 8.0 | Biochemical Assays for PI3Kalpha, PI3Kbeta: The luminescence-based ATP detection... | - |
| Unchecked | IC50 | = | 11.0 | nM | 7.96 | AlphaScreen (Amplified Luminescent Proximity Homogeneous Assay, ALPHA, Perkin El... | - |
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform | IC50 | = | 15.0 | nM | 7.82 | Biochemical Assays for PI3Kalpha, PI3Kbeta: The luminescence-based ATP detection... | - |
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | IC50 | = | 29.0 | nM | 7.54 | AlphaScreen (Amplified Luminescent Proximity Homogeneous Assay, ALPHA, Perkin El... | - |
| Unchecked | IC50 | = | 254.0 | nM | 6.59 | AlphaScreen (Amplified Luminescent Proximity Homogeneous Assay, ALPHA, Perkin El... | - |
Data from ChEMBL 36 via Core Engine