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Compound Detail

CHEMBL347729

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CN(C)Cc1ccc(CNCCN2CCN/C2=C\[N+](=O)[O-])o1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL347729
Phase Preclinical
Structure Type MOL
InChI Key PPULTLGLSHUABV-SDNWHVSQSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

309.4
MW (Da)
0.41
ALogP
7
HBA
2
HBD
86.8
PSA (Ų)
0.41
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H23N5O3
MW 309.37
Aromatic Rings 1
Heavy Atoms 22
NP-Likeness -1.21

Literature References

PubMed DOI Target Context # Activities
8496937 10.1021/jm00057a007 Acetylcholinesterase 1
8496937 10.1021/jm00057a007 Cavia porcellus 1

Data from ChEMBL 36 via Core Engine