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Compound Detail

CHEMBL4081776

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CC(=O)C1=CN(Cc2ccccc2C)C=CC1CC1Cc2cc3c(cc2C1=O)OCO3
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4081776
Phase Preclinical
Structure Type MOL
InChI Key HGNCFUVNDTUKIL-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

415.5
MW (Da)
4.59
ALogP
5
HBA
0
HBD
55.8
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 C26H25NO4
MW 415.49
Aromatic Rings 2
Heavy Atoms 31
NP-Likeness 0.36

Literature References

PubMed DOI Target Context # Activities
28613859 10.1021/acs.jmedchem.7b00702 Acetylcholinesterase 1
28613859 10.1021/acs.jmedchem.7b00702 No relevant target 1

Data from ChEMBL 36 via Core Engine