Compound Detail
CHEMBL5712041
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O=C(CCCC[C@@H]1SC[C@H]2NC(=O)N[C@@H]12)NCCOCCOCCOCCOCCC(=O)NCCCCCCn1cc(COc2ccc(C(=O)c3ccc(C[C@@H](NS(=O)(=O)c4cc(F)c5c(c4)CCNC5)C(=O)N4CCCC4)cc3)cc2)nn1
Basic Information
| ChEMBL ID | CHEMBL5712041 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CSJRAVANKQNOJI-LIAHQXGHSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
1205.5
MW (Da)
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histone-lysine N-methyltransferase SETD7 CHEMBL5523 | IC50 | 6.96 | 6.96 | 110.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histone-lysine N-methyltransferase SETD7 | IC50 | = | 110.0 | nM | 6.96 | Inhibition of wildtype full length human SETD7 (1 to 366 residues) expressed in ... | 25136132 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25136132 | 10.1073/pnas.1407358111 | Histone-lysine N-methyltransferase SETD7 | 1 |
Data from ChEMBL 36 via Core Engine