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Compound Detail

CHEMBL1347547

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COc1cc(/C=C/c2nc(O)c3ccccc3n2)cc(Br)c1O

Basic Information

ChEMBL ID CHEMBL1347547
Phase Preclinical
Structure Type MOL
InChI Key YXJCCBPUJNOIPM-VOTSOKGWSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

373.2
MW (Da)
3.98
ALogP
5
HBA
2
HBD
75.5
PSA (Ų)
0.73
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H13BrN2O3
MW 373.21
Aromatic Rings 3
Heavy Atoms 23
NP-Likeness -0.30

Activity Summary

IC50 2 meas. best 6.04

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
26S proteasome non-ATPase regulatory subunit 14
CHEMBL2007629
IC50 6.04 6.04 914.0 1
Prothrombin
CHEMBL4471
IC50 4.06 4.06 88000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine