Compound Detail
CHEMBL2181110
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Basic Information
| ChEMBL ID | CHEMBL2181110 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QOZQSTNLPIFIAO-UHFFFAOYSA-N |
5
Targets
6
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
207.2
MW (Da)
1.04
ALogP
4
HBA
1
HBD
49.8
PSA (Ų)
0.74
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 6.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| DNA-dependent protein kinase catalytic subunit CHEMBL3142 | IC50 | 6.4 | 6.4 | 400.0 | 2 |
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform CHEMBL3145 | IC50 | 5.55 | 5.55 | 2800.0 | 1 |
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform CHEMBL3130 | IC50 | 5.29 | 5.29 | 5100.0 | 1 |
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform CHEMBL4005 | IC50 | 5.0 | 5.0 | 10000.0 | 1 |
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform CHEMBL3267 | IC50 | 4.43 | 4.43 | 37000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| DNA-dependent protein kinase catalytic subunit | IC50 | = | 400.0 | nM | 6.4 | Inhibition of DNA-PK isolated from human HeLa cell extract assessed as inhibitio... | 22835870 |
| DNA-dependent protein kinase catalytic subunit | IC50 | = | 400.0 | nM | 6.4 | Inhibition of DNA-PK purified from HeLa nuclear extracts assessed as EPPLSQEAFAD... | 25387153 |
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform | IC50 | = | 2800.0 | nM | 5.55 | Inhibition of PI3Kbeta (unknown origin) | - |
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | IC50 | = | 5100.0 | nM | 5.29 | Inhibition of PI3Kdelta (unknown origin) | - |
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | IC50 | = | 10000.0 | nM | 5.0 | Inhibition of PI3Kalpha (unknown origin) | - |
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | IC50 | = | 37000.0 | nM | 4.43 | Inhibition of PI3Kgamma (unknown origin) | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22835870 | 10.1016/j.bmcl.2012.06.053 | DNA-dependent protein kinase catalytic subunit | 1 |
| - | 10.1039/C2MD20044A | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform | 1 |
| - | 10.1039/C2MD20044A | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | 1 |
| - | 10.1039/C2MD20044A | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | 1 |
| - | 10.1039/C2MD20044A | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | 1 |
| 25387153 | 10.1021/jm501026z | DNA-dependent protein kinase catalytic subunit | 1 |
Data from ChEMBL 36 via Core Engine