Compound Detail
CHEMBL179242
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Basic Information
| ChEMBL ID | CHEMBL179242 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BVRDQVRQVGRNHG-UHFFFAOYSA-N |
3
Targets
5
Activities
1
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
281.3
MW (Da)
1.68
ALogP
5
HBA
0
HBD
46.8
PSA (Ų)
0.64
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 6.55
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| DNA-dependent protein kinase catalytic subunit CHEMBL3142 | IC50 | 6.55 | 6.55 | 280.0 | 2 |
| Unchecked CHEMBL612545 | IC50 | 6.55 | 6.55 | 280.0 | 1 |
| Serine/threonine-protein kinase mTOR CHEMBL2842 | IC50 | 5.28 | 5.28 | 5300.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| DNA-dependent protein kinase catalytic subunit | IC50 | = | 280.0 | nM | 6.55 | Inhibition of DNA dependent protein kinase isolated from HeLa cells | 15658870 |
| DNA-dependent protein kinase catalytic subunit | IC50 | = | 280.0 | nM | 6.55 | Inhibition of DNA-PK | 17562705 |
| Unchecked | IC50 | = | 280.0 | nM | 6.55 | Inhibition of DNA-PK isolated from human HeLa cell extract assessed as reduction... | 21080722 |
| Serine/threonine-protein kinase mTOR | IC50 | = | 5300.0 | nM | 5.28 | Inhibition of mTOR protein isolated from HeLa cells | 15658870 |
| Serine/threonine-protein kinase mTOR | IC50 | = | 5300.0 | nM | 5.28 | Inhibition of mTOR | 17562705 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17562705 | 10.1074/jbc.m704741200 | Serine/threonine-protein kinase mTOR | 7 |
| 17562705 | 10.1074/jbc.m704741200 | Unchecked | 3 |
| 17562705 | 10.1074/jbc.m704741200 | NON-PROTEIN TARGET | 3 |
| 17562705 | 10.1074/jbc.m704741200 | Ribosomal protein S6 kinase beta-1 | 2 |
| - | 10.6019/CHEMBL4495565 | SARS-CoV-2 | 2 |
| 17562705 | 10.1074/jbc.m704741200 | Fibroblast | 2 |
| 17562705 | 10.1074/jbc.m704741200 | RAC-alpha serine/threonine-protein kinase | 2 |
| - | 10.6019/CHEMBL3301361 | No relevant target | 2 |
| - | 10.6019/CHEMBL4808148 | Histone deacetylase 6 | 2 |
| 17562705 | 10.1074/jbc.m704741200 | Tyrosine-protein kinase BTK | 1 |
| 17562705 | 10.1074/jbc.m704741200 | Glycogen synthase kinase-3 beta | 1 |
| 17562705 | 10.1074/jbc.m704741200 | Receptor-type tyrosine-protein kinase FLT3 | 1 |
| 17562705 | 10.1074/jbc.m704741200 | Casein kinase II subunit alpha | 1 |
| 17562705 | 10.1074/jbc.m704741200 | Casein kinase I isoform gamma-2 | 1 |
| 17562705 | 10.1074/jbc.m704741200 | Serine/threonine-protein kinase Chk1 | 1 |
| 17562705 | 10.1074/jbc.m704741200 | Cyclin-dependent kinase 1/cyclin B1 | 1 |
| 17562705 | 10.1074/jbc.m704741200 | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | 1 |
| 15658870 | 10.1021/jm049526a | Serine/threonine-protein kinase mTOR | 1 |
| 15658870 | 10.1021/jm049526a | Serine/threonine-protein kinase ATR | 1 |
| 15658870 | 10.1021/jm049526a | Serine-protein kinase ATM | 1 |
Data from ChEMBL 36 via Core Engine