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Compound Detail

CHEMBL3416435

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N[C@@H]1C[C@H]1c1ccccc1NC(=O)c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3416435
Phase Preclinical
Structure Type MOL
InChI Key GCUCZFAQCSDCOP-UONOGXRCSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

252.3
MW (Da)
2.75
ALogP
2
HBA
2
HBD
55.1
PSA (Ų)
0.88
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 C16H16N2O
MW 252.32
Aromatic Rings 2
Heavy Atoms 19
NP-Likeness -0.57

Literature References

PubMed DOI Target Context # Activities
25768700 10.1016/j.ejmech.2015.02.060 Amine oxidase [flavin-containing] A 1
25768700 10.1016/j.ejmech.2015.02.060 Amine oxidase [flavin-containing] B 1
25768700 10.1016/j.ejmech.2015.02.060 Lysine-specific histone demethylase 1A 1

Data from ChEMBL 36 via Core Engine