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Compound Detail

CHEMBL4099794

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COc1ccc2c(c1)CC(CC1C=CN(Cc3ccccc3C)C=C1C(C)=O)C2=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4099794
Phase Preclinical
Structure Type MOL
InChI Key DNSZEYFLEJCSEL-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

401.5
MW (Da)
4.87
ALogP
4
HBA
0
HBD
46.6
PSA (Ų)
0.69
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H27NO3
MW 401.51
Aromatic Rings 2
Heavy Atoms 30
NP-Likeness 0.14

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