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Compound Detail

CHEMBL4105413

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Cc1nc2ncccn2c1CN1C[C@H](c2cn(C)c3ccccc23)[C@@H](N(C)C)C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4105413
Phase Preclinical
Structure Type MOL
InChI Key LXIMYCUNHHEJNP-KNQAVFIVSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

388.5
MW (Da)
3.06
ALogP
6
HBA
0
HBD
41.6
PSA (Ų)
0.54
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 C23H28N6
MW 388.52
Aromatic Rings 4
Heavy Atoms 29
NP-Likeness -1.31

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