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Compound Detail

CHEMBL4072865

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COc1cc2c(cc1OC)C(=O)C(CC1C=CN(Cc3ccccc3C)C=C1C(N)=O)C2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4072865
Phase Preclinical
Structure Type MOL
InChI Key ZPTWYAMVKNUYLG-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

432.5
MW (Da)
3.77
ALogP
5
HBA
1
HBD
81.9
PSA (Ų)
0.72
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H28N2O4
MW 432.52
Aromatic Rings 2
Heavy Atoms 32
NP-Likeness 0.17

Literature References

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

Data from ChEMBL 36 via Core Engine