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Compound Detail

CHEMBL61180

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C[N+](C)(Cc1ccccc1)Cc1cccc(O)c1.[Br-]
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL61180
Phase Preclinical
Structure Type MOL
InChI Key WSSBXEABDGKOKO-UHFFFAOYSA-N
Parent Compound CHEMBL1179114
Active Moiety CHEMBL1179114
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

242.3
MW (Da)
3.17
ALogP
1
HBA
1
HBD
20.2
PSA (Ų)
0.82
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H20BrNO
MW 322.25
Aromatic Rings 2
Heavy Atoms 18
NP-Likeness 0.33

Literature References

PubMed DOI Target Context # Activities
11755352 10.1016/s0960-894x(01)00703-x Acetylcholinesterase 1
11755352 10.1016/s0960-894x(01)00703-x Cavia porcellus 1

Data from ChEMBL 36 via Core Engine