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Compound Detail

CHEMBL4087547

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CN(C)[C@H]1CN(Cc2ccn3ccnc3c2)C[C@@H]1c1cn(C)c2ccccc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4087547
Phase Preclinical
Structure Type MOL
InChI Key RLFVLAHATHWHJI-IRLDBZIGSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

373.5
MW (Da)
3.36
ALogP
5
HBA
0
HBD
28.7
PSA (Ų)
0.55
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 C23H27N5
MW 373.50
Aromatic Rings 4
Heavy Atoms 28
NP-Likeness -1.06

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