Compound Detail
CHEMBL2158853
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Basic Information
| ChEMBL ID | CHEMBL2158853 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CICSYFWWWTXRPT-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
398.5
MW (Da)
2.78
ALogP
7
HBA
2
HBD
114.1
PSA (Ų)
0.63
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine/threonine-protein kinase SMG1 CHEMBL1795195 | IC50 | 8.52 | 8.52 | 3.0 | 1 |
| Cyclin-dependent kinase 1 CHEMBL308 | IC50 | 8.13 | 8.13 | 7.4 | 1 |
| Serine/threonine-protein kinase mTOR CHEMBL2842 | IC50 | 6.96 | 6.96 | 110.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serine/threonine-protein kinase SMG1 | IC50 | = | 3.0 | nM | 8.52 | Inhibition of human recombinant SMG1 expressed in HEK293 cells using GST-tagged ... | 23021994 |
| Cyclin-dependent kinase 1 | IC50 | = | 7.4 | nM | 8.13 | Inhibition of CDK1 | 23021994 |
| Serine/threonine-protein kinase mTOR | IC50 | = | 110.0 | nM | 6.96 | Inhibition of mTOR | 23021994 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23021994 | 10.1016/j.bmcl.2012.08.107 | Cyclin-dependent kinase 2 | 1 |
| 23021994 | 10.1016/j.bmcl.2012.08.107 | Unchecked | 1 |
| 23021994 | 10.1016/j.bmcl.2012.08.107 | Serine/threonine-protein kinase mTOR | 1 |
| 23021994 | 10.1016/j.bmcl.2012.08.107 | Cyclin-dependent kinase 1 | 1 |
| 23021994 | 10.1016/j.bmcl.2012.08.107 | Serine/threonine-protein kinase SMG1 | 1 |
Data from ChEMBL 36 via Core Engine