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Compound Detail

CHEMBL62210

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CC(=O)Oc1ccc([N+](C)(C)Cc2ccccc2)cc1.[Br-]
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL62210
Phase Preclinical
Structure Type MOL
InChI Key GSSUYTWKNIUTII-UHFFFAOYSA-M
Parent Compound CHEMBL1179144
Active Moiety CHEMBL1179144
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

270.4
MW (Da)
3.38
ALogP
2
HBA
0
HBD
26.3
PSA (Ų)
0.48
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 C17H20BrNO2
MW 350.26
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness 0.27

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