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Compound Detail

CHEMBL283774

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O=[N+]([O-])c1ccc(N(CCBr)CCBr)cc1

Basic Information

ChEMBL ID CHEMBL283774
Phase Preclinical
Structure Type MOL
InChI Key DHKBGSHNGQVYCU-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

352.0
MW (Da)
3.19
ALogP
3
HBA
0
HBD
46.4
PSA (Ų)
0.45
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C10H12Br2N2O2
MW 352.03
Aromatic Rings 1
Heavy Atoms 16
NP-Likeness -1.27

Activity Summary

IC50 1 meas. best 5.55

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
ADMET
CHEMBL612558
IC50 5.55 5.55 2800.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
ADMET IC50 = 2800.0 nM 5.55 Evaluated for cytotoxicity under aerobic conditions against UV4 cells using micr... 2296009

Literature References

PubMed DOI Target Context # Activities
2296009 10.1021/jm00163a019 ADMET 2

Data from ChEMBL 36 via Core Engine