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Compound Detail

CHEMBL1081125

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[Br-].[Br-].c1cc[n+](Cc2cccc(C[n+]3ccccc3)c2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1081125
Phase Preclinical
Structure Type MOL
InChI Key TWGXFLHSTSMEQE-UHFFFAOYSA-L
Parent Compound CHEMBL1199195
Active Moiety CHEMBL1199195
0
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

262.4
MW (Da)
2.36
ALogP
0
HBA
0
HBD
7.8
PSA (Ų)
0.64
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 C18H18Br2N2
MW 422.16
Aromatic Rings 3
Heavy Atoms 20
NP-Likeness -0.24

Activity Summary

IC50 2 meas.

Literature References

PubMed DOI Target Context # Activities
20138518 10.1016/j.bmcl.2010.01.034 Acetylcholinesterase 1
20138518 10.1016/j.bmcl.2010.01.034 Cholinesterase 1

Data from ChEMBL 36 via Core Engine