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Compound Detail

CHEMBL3262486

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COc1cccc(NC(=O)Oc2ccc3c(c2)C(=O)N2CCc4c([nH]c5ccccc45)C2N3C)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3262486
Phase Preclinical
Structure Type MOL
InChI Key OFNNLVIKOBPZPX-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

468.5
MW (Da)
4.93
ALogP
5
HBA
2
HBD
86.9
PSA (Ų)
0.45
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H24N4O4
MW 468.51
Aromatic Rings 4
Heavy Atoms 35
NP-Likeness -0.37

Literature References

PubMed DOI Target Context # Activities
24819955 10.1016/j.ejmech.2014.05.002 Cholinesterase 2
24819955 10.1016/j.ejmech.2014.05.002 Acetylcholinesterase 2

Data from ChEMBL 36 via Core Engine