Compound Detail
CHEMBL3915703
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Basic Information
| ChEMBL ID | CHEMBL3915703 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IQUGIKIYSFPJHS-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
387.4
MW (Da)
4.46
ALogP
5
HBA
0
HBD
51.9
PSA (Ų)
0.49
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.25
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform CHEMBL3130 | IC50 | 5.25 | 5.25 | 5600.0 | 1 |
| DNA-PK/Ku70/Ku85 CHEMBL4106136 | IC50 | 4.92 | 4.92 | 11900.0 | 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 | = | 5600.0 | nM | 5.25 | Inhibition of p110delta (unknown origin) assessed as decrease in ATP consumption... | 27765510 |
| DNA-PK/Ku70/Ku85 | IC50 | = | 11900.0 | nM | 4.92 | 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