Compound Detail
CHEMBL3945937
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
Basic Information
| ChEMBL ID | CHEMBL3945937 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OXSXPONLGUYBCS-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
357.4
MW (Da)
4.45
ALogP
4
HBA
0
HBD
42.7
PSA (Ų)
0.50
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.11
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform CHEMBL3130 | IC50 | 5.11 | 5.11 | 7700.0 | 1 |
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform CHEMBL4005 | IC50 | 4.36 | 4.36 | 43800.0 | 1 |
| DNA-PK/Ku70/Ku85 CHEMBL4106136 | IC50 | 4.11 | 4.11 | 78100.0 | 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 delta isoform | IC50 | = | 7700.0 | nM | 5.11 | Inhibition of p110delta (unknown origin) assessed as decrease in ATP consumption... | 27765510 |
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | IC50 | = | 43800.0 | nM | 4.36 | Inhibition of p110alpha (unknown origin) assessed as decrease in ATP consumption... | 27765510 |
| DNA-PK/Ku70/Ku85 | IC50 | = | 78100.0 | nM | 4.11 | Inhibition of human DNA-PK/Ku70/Ku85 using EPPLSQEAFADLWKK as substrate by HTRF ... | 27765510 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27765510 | 10.1016/j.bmcl.2016.10.003 | DNA-PK/Ku70/Ku85 | 1 |
| 27765510 | 10.1016/j.bmcl.2016.10.003 | cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A | 1 |
| 27765510 | 10.1016/j.bmcl.2016.10.003 | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | 1 |
| 27765510 | 10.1016/j.bmcl.2016.10.003 | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform | 1 |
| 27765510 | 10.1016/j.bmcl.2016.10.003 | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | 1 |
| 27765510 | 10.1016/j.bmcl.2016.10.003 | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | 1 |
| 27765510 | 10.1016/j.bmcl.2016.10.003 | NON-PROTEIN TARGET | 1 |
Data from ChEMBL 36 via Core Engine