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Compound Detail

CHEMBL1088018

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[Br-].[Br-].c1cc[n+](CCCC[n+]2ccccc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1088018
Phase Preclinical
Structure Type MOL
InChI Key OZXBTPBFHBTLJM-UHFFFAOYSA-L
Parent Compound CHEMBL1198979
Active Moiety CHEMBL1198979
0
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

214.3
MW (Da)
1.74
ALogP
0
HBA
0
HBD
7.8
PSA (Ų)
0.53
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H18Br2N2
MW 374.12
Aromatic Rings 2
Heavy Atoms 16
NP-Likeness -0.05

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