Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL3237342

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
O=[N+]([O-])c1ccccc1C(c1c[nH]c2ccc(Br)cc12)c1c[nH]c2ccc(Br)cc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3237342
Phase Preclinical
Structure Type MOL
InChI Key RDFDYVPGHYYWKB-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

525.2
MW (Da)
7.26
ALogP
2
HBA
2
HBD
74.7
PSA (Ų)
0.19
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 C23H15Br2N3O2
MW 525.20
Aromatic Rings 5
Heavy Atoms 30
NP-Likeness -0.56

Literature References

PubMed DOI Target Context # Activities
24602903 10.1016/j.bmcl.2014.02.015 Beta-glucuronidase 1

Data from ChEMBL 36 via Core Engine