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Compound Detail

CHEMBL294897

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C[N+](C)(Cc1ccccc1)c1ccc(O)cc1.[Br-]
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL294897
Phase Preclinical
Structure Type MOL
InChI Key YYLIQIMXUNUZSU-UHFFFAOYSA-N
Parent Compound CHEMBL1183397
Active Moiety CHEMBL1183397
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

228.3
MW (Da)
3.16
ALogP
1
HBA
1
HBD
20.2
PSA (Ų)
0.80
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H18BrNO
MW 308.22
Aromatic Rings 2
Heavy Atoms 17
NP-Likeness 0.49

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