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Compound Detail

CHEMBL4542936

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CC(C)N1CCN(c2ccc(-c3cc(C(=O)NC4CC(C)(C)NC(C)(C)C4)c4cnn(C(C)C)c4c3)cn2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4542936
Phase Preclinical
Structure Type MOL
InChI Key JNZWUMLFGKGJAR-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

545.8
MW (Da)
5.25
ALogP
7
HBA
2
HBD
78.3
PSA (Ų)
0.44
QED
2
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C32H47N7O
MW 545.78
Aromatic Rings 3
Heavy Atoms 40
NP-Likeness -1.58

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