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Compound Detail

CHEMBL3770788

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CCN(c1cc(Cl)cc(C(=O)NCc2ccc(C)[nH]c2=O)c1C)C1CCOCC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3770788
Phase Preclinical
Structure Type MOL
InChI Key ZRUQKPSGZKVRJH-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

417.9
MW (Da)
3.58
ALogP
4
HBA
2
HBD
74.4
PSA (Ų)
0.75
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H28ClN3O3
MW 417.94
Aromatic Rings 2
Heavy Atoms 29
NP-Likeness -1.43

Activity Summary

IC50 1 meas. best 6.7

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Histone-lysine N-methyltransferase EZH2
CHEMBL2189110
 IC50 6.7 6.7 200.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Histone-lysine N-methyltransferase EZH2 IC50 = 200.0 nM 6.7 Inhibition of methyltransferase activity of human EZH2 using chicken oligonucleo... 26769278

Literature References

PubMed DOI Target Context # Activities
26769278 10.1021/acs.jmedchem.5b01501 Histone-lysine N-methyltransferase EZH2 1

Data from ChEMBL 36 via Core Engine