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Compound Detail

CHEMBL3769498

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Cc1cc(C)c(CNC(=O)c2cc(Br)cc(N(C)C3CCCC3)c2)c(=O)[nH]1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3769498
Phase Preclinical
Structure Type MOL
InChI Key DRKIQHCPNYXOLE-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

432.4
MW (Da)
4.06
ALogP
3
HBA
2
HBD
65.2
PSA (Ų)
0.75
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H26BrN3O2
MW 432.36
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness -1.49

Activity Summary

IC50 1 meas. best 5.24

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Histone-lysine N-methyltransferase EZH2
CHEMBL2189110
 IC50 5.24 5.24 5700.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Histone-lysine N-methyltransferase EZH2 IC50 = 5700.0 nM 5.24 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