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Compound Detail

CHEMBL294251

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COc1ccc(C(=O)CCc2cccc([N+](C)(C)C)c2)cc1OC.[Br-]
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL294251
Phase Preclinical
Structure Type MOL
InChI Key RWGFBXYIJXUAEW-UHFFFAOYSA-M
Parent Compound CHEMBL1183382
Active Moiety CHEMBL1183382
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

328.4
MW (Da)
3.72
ALogP
3
HBA
0
HBD
35.5
PSA (Ų)
0.57
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H26BrNO3
MW 408.34
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness 0.10

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