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Compound Detail

CHEMBL4093567

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CC(=O)C1=CN(Cc2ccccc2C)C=CC1CC1Cc2cc(Cl)ccc2C1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4093567
Phase Preclinical
Structure Type MOL
InChI Key IRSKLJAPYHNFND-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

405.9
MW (Da)
5.51
ALogP
3
HBA
0
HBD
37.4
PSA (Ų)
0.66
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H24ClNO2
MW 405.93
Aromatic Rings 2
Heavy Atoms 29
NP-Likeness -0.07

Literature References

PubMed DOI Target Context # Activities
28613859 10.1021/acs.jmedchem.7b00702 Acetylcholinesterase 1

Data from ChEMBL 36 via Core Engine