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Compound Detail

CHEMBL408488

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CC1(C)OCC(Br)([N+](=O)[O-])CO1

Basic Information

ChEMBL ID CHEMBL408488
Phase Preclinical
Structure Type MOL
InChI Key JPAOVDVRWCPYCH-UHFFFAOYSA-N
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

240.1
MW (Da)
1.14
ALogP
4
HBA
0
HBD
61.6
PSA (Ų)
0.30
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C6H10BrNO4
MW 240.05
Aromatic Rings 0
Heavy Atoms 12
NP-Likeness 0.46

Activity Summary

EC50 3 meas. best 5.64

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Potassium voltage-gated channel subfamily A member 4
CHEMBL4205
EC50 5.64 5.64 2300.0 1
Potassium voltage-gated channel subfamily A member 1
CHEMBL2309
EC50 5.37 5.37 4300.0 1
Voltage-gated potassium channel subfamily A member 1/beta-1
CHEMBL3988636
EC50 4.78 4.78 16700.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
18226531 10.1016/j.bmc.2007.12.031 Potassium voltage-gated channel subfamily A member 1 2
18226531 10.1016/j.bmc.2007.12.031 Voltage-gated potassium channel subfamily A member 1/beta-1 1
18226531 10.1016/j.bmc.2007.12.031 Potassium voltage-gated channel subfamily A member 4 1
18226531 10.1016/j.bmc.2007.12.031 A-type voltage-gated potassium channel KCND2 1
18226531 10.1016/j.bmc.2007.12.031 Mus musculus 1

Data from ChEMBL 36 via Core Engine