Compound Detail
CHEMBL265470
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Basic Information
| ChEMBL ID | CHEMBL265470 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WNRSTFUVBWNELX-UHFFFAOYSA-N |
| Parent Compound | CHEMBL1182777 |
| Active Moiety | CHEMBL1182777 |
8
Targets
8
Activities
1
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
314.3
MW (Da)
3.29
ALogP
4
HBA
1
HBD
71.7
PSA (Ų)
0.52
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 8 meas. best 8.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Calcium/calmodulin-dependent protein kinase kinase 2 CHEMBL5284 | IC50 | 8.0 | 8.0 | 10.0 | 1 |
| Serine/threonine-protein kinase pim-3 CHEMBL5407 | IC50 | 7.08 | 7.08 | 83.0 | 1 |
| Serine/threonine-protein kinase pim-2 CHEMBL4523 | IC50 | 6.96 | 6.96 | 110.0 | 1 |
| MAP kinase-interacting serine/threonine-protein kinase 1 CHEMBL4718 | IC50 | 6.92 | 6.92 | 120.0 | 1 |
| Calcium/calmodulin-dependent protein kinase kinase 1 CHEMBL5256 | IC50 | 6.92 | 6.92 | 120.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 6.8 | 6.8 | 160.0 | 1 |
| Casein kinase II CHEMBL2095191 | IC50 | 6.72 | 6.72 | 190.0 | 1 |
| Dual specificity tyrosine-phosphorylation-regulated kinase 2 CHEMBL4376 | IC50 | 6.02 | 6.02 | 950.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Calcium/calmodulin-dependent protein kinase kinase 2 | IC50 | = | 10.0 | nM | 8.0 | Inhibition of CAMKKbeta in the presence of 20uM ATP | 17850214 |
| Serine/threonine-protein kinase pim-3 | IC50 | = | 83.0 | nM | 7.08 | Inhibition of PIM3 in the presence of 100uM ATP | 17850214 |
| Serine/threonine-protein kinase pim-2 | IC50 | = | 110.0 | nM | 6.96 | Inhibition of PIM2 in the presence of 5uM ATP | 17850214 |
| Calcium/calmodulin-dependent protein kinase kinase 1 | IC50 | = | 120.0 | nM | 6.92 | Inhibition of CAMKKalpha in the presence of 20uM ATP | 17850214 |
| MAP kinase-interacting serine/threonine-protein kinase 1 | IC50 | = | 120.0 | nM | 6.92 | Inhibition of MNK1 in the presence of 50uM ATP | 17850214 |
| Unchecked | IC50 | = | 160.0 | nM | 6.8 | Inhibition of AMPK in the presence of 50uM ATP | 17850214 |
| Casein kinase II | IC50 | = | 190.0 | nM | 6.72 | Inhibition of CK2 in the presence of 5uM ATP | 17850214 |
| Dual specificity tyrosine-phosphorylation-regulated kinase 2 | IC50 | = | 950.0 | nM | 6.02 | Inhibition of DYRK2 in the presence of 50uM ATP | 17850214 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18077363 | 10.1073/pnas.0708800104 | Unchecked | 4 |
| 17850214 | 10.1042/bj20070797 | Unchecked | 3 |
| 17850214 | 10.1042/bj20070797 | Calcium/calmodulin-dependent protein kinase kinase 1 | 2 |
| 17850214 | 10.1042/bj20070797 | MAP kinase-interacting serine/threonine-protein kinase 1 | 2 |
| 17850214 | 10.1042/bj20070797 | Calcium/calmodulin-dependent protein kinase kinase 2 | 2 |
| 17850214 | 10.1042/bj20070797 | Serine/threonine-protein kinase pim-3 | 2 |
| 17850214 | 10.1042/bj20070797 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 | 2 |
| 17850214 | 10.1042/bj20070797 | Serine/threonine-protein kinase pim-2 | 2 |
| 17850214 | 10.1042/bj20070797 | Casein kinase II | 2 |
| 17850214 | 10.1042/bj20070797 | Mitogen-activated protein kinase 12 | 1 |
| 17850214 | 10.1042/bj20070797 | Serine/threonine-protein kinase N2 | 1 |
| 17850214 | 10.1042/bj20070797 | 3-phosphoinositide-dependent protein kinase 1 | 1 |
| 17850214 | 10.1042/bj20070797 | Serine/threonine-protein kinase PAK 6 | 1 |
| 17850214 | 10.1042/bj20070797 | Serine/threonine-protein kinase PAK 5 | 1 |
| 17850214 | 10.1042/bj20070797 | Serine/threonine-protein kinase PAK 4 | 1 |
| 18077363 | 10.1073/pnas.0708800104 | Calcium/calmodulin-dependent protein kinase kinase 1 | 1 |
| 17850214 | 10.1042/bj20070797 | Mitogen-activated protein kinase 11 | 1 |
| 17850214 | 10.1042/bj20070797 | Ribosomal protein S6 kinase alpha-1 | 1 |
| 18077363 | 10.1073/pnas.0708800104 | Mitogen-activated protein kinase 1 | 1 |
| 18077363 | 10.1073/pnas.0708800104 | Calcium/calmodulin-dependent protein kinase type IV | 1 |
Data from ChEMBL 36 via Core Engine