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Compound Detail

CHEMBL4086807

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CCN(CC)c1ccc(/C=C/c2ccc3ccccc3n2)c(O)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4086807
Phase Preclinical
Structure Type MOL
InChI Key MMODGRRBRUIVOP-JLHYYAGUSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

318.4
MW (Da)
4.96
ALogP
3
HBA
1
HBD
36.4
PSA (Ų)
0.72
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 C21H22N2O
MW 318.42
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness -0.75

Literature References

PubMed DOI Target Context # Activities
28242549 10.1016/j.ejmech.2017.02.042 No relevant target 2
28242549 10.1016/j.ejmech.2017.02.042 Acetylcholinesterase 2
28242549 10.1016/j.ejmech.2017.02.042 Cholinesterase 2
28242549 10.1016/j.ejmech.2017.02.042 Amyloid-beta precursor protein 1

Data from ChEMBL 36 via Core Engine