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Compound Detail

CHEMBL59490

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C=CC[N+](C)(C)Cc1cccc(OC)c1.[Br-]
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL59490
Phase Preclinical
Structure Type MOL
InChI Key MREZQIFLMGEOEF-UHFFFAOYSA-M
Parent Compound CHEMBL1179086
Active Moiety CHEMBL1179086
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

206.3
MW (Da)
2.46
ALogP
1
HBA
0
HBD
9.2
PSA (Ų)
0.53
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H20BrNO
MW 286.21
Aromatic Rings 1
Heavy Atoms 15

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