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Compound Detail

CHEMBL329576

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Nc1c2c(nc3ccccc13)CCCC2N1CCOCC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL329576
Phase Preclinical
Structure Type MOL
InChI Key CJHXIILUIKWHTD-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

283.4
MW (Da)
2.53
ALogP
4
HBA
1
HBD
51.4
PSA (Ų)
0.87
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H21N3O
MW 283.37
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness -0.59

Literature References

PubMed DOI Target Context # Activities
- 10.1016/S0960-894X(01)80765-4 Acetylcholinesterase 1

Data from ChEMBL 36 via Core Engine