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Compound Detail

CHEMBL4590919

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CC(C)N1CCN(c2ccc(-c3cc(C(=O)NCc4cnc[nH]c4=O)c4cnn(C(C)C)c4c3)cn2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4590919
Phase Preclinical
Structure Type MOL
InChI Key GZBGJLVMYXSKIC-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

514.6
MW (Da)
3.22
ALogP
8
HBA
2
HBD
112.0
PSA (Ų)
0.39
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 C28H34N8O2
MW 514.63
Aromatic Rings 4
Heavy Atoms 38
NP-Likeness -1.71

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