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Compound Detail

CHEMBL3752327

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COc1ccccc1N1CCN(c2cc(-n3cccn3)nc(NCCC(=O)O)n2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3752327
Phase Preclinical
Structure Type MOL
InChI Key ZOZOUMNWOREEPT-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

423.5
MW (Da)
1.88
ALogP
9
HBA
2
HBD
108.6
PSA (Ų)
0.56
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H25N7O3
MW 423.48
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -1.81

Literature References

PubMed DOI Target Context # Activities
26776360 10.1016/j.bmcl.2016.01.006 Lysine-specific demethylase 6B 1

Data from ChEMBL 36 via Core Engine