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Compound Detail

CHEMBL4063970

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CN(C)[C@H]1CN(Cc2nccn2C)C[C@@H]1c1cn(C)c2ccccc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4063970
Phase Preclinical
Structure Type MOL
InChI Key VRQHCKQZNPAZPR-MJGOQNOKSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

337.5
MW (Da)
2.44
ALogP
5
HBA
0
HBD
29.2
PSA (Ų)
0.73
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H27N5
MW 337.47
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -1.13

Literature References

PubMed DOI Target Context # Activities
28254486 10.1016/j.bmcl.2017.02.030 Polycomb protein EED 1

Data from ChEMBL 36 via Core Engine