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Compound Detail

CHEMBL4593180

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Cc1[nH]c(=O)[nH]c(=O)c1CNC(=O)c1cc(-c2ccc(N3CCN(C(C)C)CC3)nc2)cc2c1cnn2C(C)C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4593180
Phase Preclinical
Structure Type MOL
InChI Key FBOBCKONBJILGL-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

544.7
MW (Da)
2.82
ALogP
8
HBA
3
HBD
132.0
PSA (Ų)
0.33
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C29H36N8O3
MW 544.66
Aromatic Rings 4
Heavy Atoms 40
NP-Likeness -1.77

Literature References

PubMed DOI Target Context # Activities
27468126 10.1021/acs.jmedchem.6b00855 Histone-lysine N-methyltransferase EZH2 1
27468126 10.1021/acs.jmedchem.6b00855 Histone-lysine N-methyltransferase EZH1 1

Data from ChEMBL 36 via Core Engine