Compound Detail
CHEMBL4162406
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CCN(c1cc2occc2c(C(=O)NCc2c(C(F)(F)F)cc(C)[nH]c2=O)c1C)C1CCOCC1
Basic Information
| ChEMBL ID | CHEMBL4162406 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JFONWYWBVOYASL-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
491.5
MW (Da)
4.69
ALogP
5
HBA
2
HBD
87.6
PSA (Ų)
0.52
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.34
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| EZH1/SUZ12/EED/AEBP2/RBBP4 complex CHEMBL3137287 | IC50 | 8.34 | 8.34 | 4.6 | 1 |
| Pfeiffer CHEMBL4296489 | IC50 | 5.48 | 5.48 | 3300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| EZH1/SUZ12/EED/AEBP2/RBBP4 complex | IC50 | = | 4.6 | nM | 8.34 | Inhibition of human N-terminal His-tagged EZH2/flag-tagged EED/SUZ12/AEBP2/RBAP4... | 29456795 |
| Pfeiffer | IC50 | = | 3300.0 | nM | 5.48 | Cytotoxicity against human Pfeiffer cells assessed as decrease in cell viability... | 29456795 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29456795 | 10.1021/acsmedchemlett.7b00437 | Pfeiffer | 1 |
| 29456795 | 10.1021/acsmedchemlett.7b00437 | EZH1/SUZ12/EED/AEBP2/RBBP4 complex | 1 |
Data from ChEMBL 36 via Core Engine