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Compound Detail

CHEMBL3127264

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O=[N+]([O-])c1ccc2nc(-c3cc(Br)ccc3O)n(Cc3cc(Br)ccc3O)c2c1

Basic Information

ChEMBL ID CHEMBL3127264
Phase Preclinical
Structure Type MOL
InChI Key FAYVDJDMYLGDEB-UHFFFAOYSA-N
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

519.1
MW (Da)
5.60
ALogP
6
HBA
2
HBD
101.4
PSA (Ų)
0.27
QED
2
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H13Br2N3O4
MW 519.15
Aromatic Rings 4
Heavy Atoms 29
NP-Likeness -1.12

Activity Summary

EC50 3 meas. best 7.92

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Presequence protease, mitochondrial
CHEMBL3124731
EC50 7.92 6.9633 12.0 3

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
24602793 10.1016/j.ejmech.2014.02.046 Presequence protease, mitochondrial 10
31610373 10.1016/j.ejmech.2019.111746 Presequence protease, mitochondrial 5

Data from ChEMBL 36 via Core Engine