Compound Detail
CHEMBL5185991
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
Cc1cc(C)c(CN2CCc3c(Br)c4c(c(C)c3C2=O)OC(C)([C@H]2CC[C@H](N(C)C)CC2)O4)c(=O)[nH]1
Basic Information
| ChEMBL ID | CHEMBL5185991 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BCXFQOXVZKGYFG-LVGPLGPFSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
558.5
MW (Da)
4.87
ALogP
5
HBA
1
HBD
74.9
PSA (Ų)
0.58
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 9.46
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histone-lysine N-methyltransferase EZH2 CHEMBL2189110 | IC50 | 9.46 | 9.46 | 0.3 | 1 |
| Histone-lysine N-methyltransferase EZH1 CHEMBL2189116 | IC50 | 8.15 | 8.15 | 7.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histone-lysine N-methyltransferase EZH2 | IC50 | = | 0.35 | nM | 9.46 | Inhibition of EZH2 (unknown origin) | 35531606 |
| Histone-lysine N-methyltransferase EZH1 | IC50 | = | 7.0 | nM | 8.15 | Inhibition of EZH1 (unknown origin) | 35531606 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35531606 | 10.1021/acs.jmedchem.2c00047 | Histone-lysine N-methyltransferase EZH2 | 1 |
| 35531606 | 10.1021/acs.jmedchem.2c00047 | Pfeiffer | 1 |
| 35531606 | 10.1021/acs.jmedchem.2c00047 | Histone-lysine N-methyltransferase EZH1 | 1 |
| 35531606 | 10.1021/acs.jmedchem.2c00047 | KARPAS-422 | 1 |
Data from ChEMBL 36 via Core Engine