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Compound Detail

CHEMBL3330343

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CCOC(=O)[C@]1(N)C[C@H]1c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3330343
Phase Preclinical
Structure Type MOL
InChI Key DXQQKLKCMSJJEX-JQWIXIFHSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

205.3
MW (Da)
1.43
ALogP
3
HBA
1
HBD
52.3
PSA (Ų)
0.76
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H15NO2
MW 205.26
Aromatic Rings 1
Heavy Atoms 15
NP-Likeness 0.47

Literature References

PubMed DOI Target Context # Activities
25173853 10.1016/j.ejmech.2014.08.068 Lysine-specific histone demethylase 1A 3
25173853 10.1016/j.ejmech.2014.08.068 Amine oxidase [flavin-containing] A 1
25173853 10.1016/j.ejmech.2014.08.068 Amine oxidase [flavin-containing] B 1

Data from ChEMBL 36 via Core Engine