Compound Detail
CHEMBL5517719
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N[C@@H]1CCCN(C(=O)c2ccc(-c3ccc4ncnc(N5CCc6ccccc65)c4n3)cc2)C1
Basic Information
| ChEMBL ID | CHEMBL5517719 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BBQVZHIHIVJRIC-OAQYLSRUSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
450.6
MW (Da)
3.95
ALogP
6
HBA
1
HBD
88.2
PSA (Ų)
0.51
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| MAP kinase-interacting serine/threonine-protein kinase 2 CHEMBL4204 | IC50 | 8.64 | 8.64 | 2.3 | 1 |
| MAP kinase-interacting serine/threonine-protein kinase 1 CHEMBL4718 | IC50 | 7.82 | 7.82 | 15.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| MAP kinase-interacting serine/threonine-protein kinase 2 | IC50 | = | 2.3 | nM | 8.64 | Inhibition of Mnk2 (unknown origin) incubated for 60 mins in presence of ATP/sub... | 38759457 |
| MAP kinase-interacting serine/threonine-protein kinase 1 | IC50 | = | 15.3 | nM | 7.82 | Inhibition of Mnk1 (unknown origin) incubated for 60 mins in presence of ATP/sub... | 38759457 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38759457 | 10.1016/j.ejmech.2024.116499 | MAP kinase-interacting serine/threonine-protein kinase 1 | 1 |
| 38759457 | 10.1016/j.ejmech.2024.116499 | MAP kinase-interacting serine/threonine-protein kinase 2 | 1 |
| 38759457 | 10.1016/j.ejmech.2024.116499 | HCT-116 | 1 |
Data from ChEMBL 36 via Core Engine