Compound Detail
CHEMBL4639197
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
CC(=O)N1CCC(c2cnc(NCc3c(F)ccc4c3CCO4)n3cnc(S(C)(=O)=O)c23)CC1
Basic Information
| ChEMBL ID | CHEMBL4639197 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SPQHQXINNKFZLD-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
487.6
MW (Da)
2.54
ALogP
8
HBA
1
HBD
105.9
PSA (Ų)
0.59
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.55
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Polycomb protein EED CHEMBL2189117 | IC50 | 8.55 | 8.55 | 2.8 | 1 |
| KARPAS-422 CHEMBL2366368 | IC50 | 8.19 | 8.19 | 6.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Polycomb protein EED | IC50 | = | 2.8 | nM | 8.55 | Inhibition of EED ( 1 to 441 residues) (unknown origin) pre-incubated for 15 min... | 32580550 |
| KARPAS-422 | IC50 | = | 6.5 | nM | 8.19 | Growth inhibition of human KARPAS422 cells incubated for 7 days by WST8 assay | 32580550 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32580550 | 10.1021/acs.jmedchem.0c00479 | Polycomb protein EED | 1 |
| 32580550 | 10.1021/acs.jmedchem.0c00479 | KARPAS-422 | 1 |
| 32580550 | 10.1021/acs.jmedchem.0c00479 | Pfeiffer | 1 |
Data from ChEMBL 36 via Core Engine