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Compound Detail

CHEMBL294152

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C=C(C)C[N+](C)(C)c1ccccc1OC.[Br-]
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL294152
Phase Preclinical
Structure Type MOL
InChI Key MINZNVAMBAWPCX-UHFFFAOYSA-M
Parent Compound CHEMBL1183381
Active Moiety CHEMBL1183381
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

206.3
MW (Da)
2.84
ALogP
1
HBA
0
HBD
9.2
PSA (Ų)
0.54
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 C13H20BrNO
MW 286.21
Aromatic Rings 1
Heavy Atoms 15
NP-Likeness 0.41

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