Compound Detail
CHEMBL4633923
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
CSc1cc(C)[nH]c(=O)c1CNC(=O)c1c(C)n([C@H](C)[C@H]2CC[C@H](N3CC(OC4CC4)C3)CC2)c2ncncc12
Basic Information
| ChEMBL ID | CHEMBL4633923 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZCELUQDLBPHBLC-HMXCVIKNSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
564.8
MW (Da)
4.37
ALogP
8
HBA
2
HBD
105.1
PSA (Ų)
0.37
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 8.2
IC50 1 meas. best 10.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histone-lysine N-methyltransferase EZH2 CHEMBL2189110 | IC50 | 10.0 | 10.0 | 0.1 | 1 |
| Histone-lysine N-methyltransferase EZH2 CHEMBL2189110 | EC50 | 8.2 | 8.2 | 6.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histone-lysine N-methyltransferase EZH2 | IC50 | = | 0.1 | nM | 10.0 | Inhibition of N-terminal FLAG-tagged EZH2 in PRC2 complex (unknown origin) expre... | 32551002 |
| Histone-lysine N-methyltransferase EZH2 | EC50 | = | 6.3 | nM | 8.2 | Inhibition of EZH2 in human HeLa cells assessed as inhibition of trimethylation ... | 32551002 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32551002 | 10.1021/acsmedchemlett.0c00045 | Histone-lysine N-methyltransferase EZH2 | 3 |
| 32551002 | 10.1021/acsmedchemlett.0c00045 | KARPAS-422 | 1 |
Data from ChEMBL 36 via Core Engine