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Compound Detail

CHEMBL4284358

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COc1ccccc1CN[C@H]1[C@@H](C)[C@@H]1c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4284358
Phase Preclinical
Structure Type MOL
InChI Key LBIKBJILQDMQIQ-VHSSKADRSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

267.4
MW (Da)
3.59
ALogP
2
HBA
1
HBD
21.3
PSA (Ų)
0.89
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H21NO
MW 267.37
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness -0.22

Literature References

PubMed DOI Target Context # Activities
29247860 10.1016/j.ejmech.2017.12.001 Lysine-specific histone demethylase 1A 1
29247860 10.1016/j.ejmech.2017.12.001 Amine oxidase [flavin-containing] A 1
29247860 10.1016/j.ejmech.2017.12.001 Amine oxidase [flavin-containing] B 1

Data from ChEMBL 36 via Core Engine