Compound Detail
CHEMBL3763878
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Basic Information
| ChEMBL ID | CHEMBL3763878 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GRUKVISAMVIBMY-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
364.4
MW (Da)
3.91
ALogP
6
HBA
0
HBD
55.6
PSA (Ų)
0.54
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.67
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| DNA-dependent protein kinase catalytic subunit CHEMBL3142 | IC50 | 5.67 | 5.67 | 2120.0 | 1 |
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform CHEMBL3130 | IC50 | 5.43 | 5.43 | 3700.0 | 1 |
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform CHEMBL4005 | IC50 | 5.0 | 5.0 | 10000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| DNA-dependent protein kinase catalytic subunit | IC50 | = | 2120.0 | nM | 5.67 | Inhibition of human DNA-PK using EPPLSQEAFADLWKK as substrate by HTRF assay | 26854431 |
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | IC50 | = | 3700.0 | nM | 5.43 | Inhibition of PI3Kdelta (unknown origin) incubated for 60 mins by kinase-glo lum... | 26854431 |
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | IC50 | = | 10000.0 | nM | 5.0 | Inhibition of PI3Kalpha (unknown origin) incubated for 60 mins by kinase-glo lum... | 26854431 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26854431 | 10.1016/j.ejmech.2016.01.042 | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | 1 |
| 26854431 | 10.1016/j.ejmech.2016.01.042 | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform | 1 |
| 26854431 | 10.1016/j.ejmech.2016.01.042 | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | 1 |
| 26854431 | 10.1016/j.ejmech.2016.01.042 | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | 1 |
| 26854431 | 10.1016/j.ejmech.2016.01.042 | DNA-dependent protein kinase catalytic subunit | 1 |
Data from ChEMBL 36 via Core Engine