Compound Detail
CHEMBL5712060
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O=C([C@H](Cc1cccc(C(F)(F)F)c1)NS(=O)(=O)c1cc(F)c2c(c1)CCNC2)N1CCCC1
Basic Information
| ChEMBL ID | CHEMBL5712060 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JCKGSPAAPQRPBW-NRFANRHFSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
499.5
MW (Da)
3.00
ALogP
4
HBA
2
HBD
78.5
PSA (Ų)
0.60
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histone-lysine N-methyltransferase SETD7 CHEMBL5523 | IC50 | 6.0 | 6.0 | 1000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histone-lysine N-methyltransferase SETD7 | IC50 | = | 1000.0 | nM | 6.0 | 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 | 8 |
Data from ChEMBL 36 via Core Engine