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Compound Detail

CHEMBL4524767

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CCCc1cc(C)[nH]c(=O)c1CNC(=O)c1nn(C(C)C)c2cc(-c3ccc(N4CCN(C(C)C)CC4)nc3)ccc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4524767
Phase Preclinical
Structure Type MOL
InChI Key HUTDLUHCYMEVAS-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

569.8
MW (Da)
5.09
ALogP
7
HBA
2
HBD
99.2
PSA (Ų)
0.29
QED
2
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C33H43N7O2
MW 569.75
Aromatic Rings 4
Heavy Atoms 42
NP-Likeness -1.49

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