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Compound Detail

CHEMBL3262492

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COc1cccc(NC(=O)Oc2ccc3c(c2)CN2CCc4c([nH]c5ccccc45)C2N3C)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3262492
Phase Preclinical
Structure Type MOL
InChI Key QIWBJLBDULQJET-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

454.5
MW (Da)
5.29
ALogP
5
HBA
2
HBD
69.8
PSA (Ų)
0.44
QED
1
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H26N4O3
MW 454.53
Aromatic Rings 4
Heavy Atoms 34
NP-Likeness -0.43

Literature References

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

Data from ChEMBL 36 via Core Engine