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Compound Detail

CHEMBL3237338

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COc1cc(C(c2c[nH]c3ccc(Br)cc23)c2c[nH]c3ccc(Br)cc23)ccc1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3237338
Phase Preclinical
Structure Type MOL
InChI Key ZFXSMNBVJSKGKL-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

526.2
MW (Da)
7.07
ALogP
2
HBA
3
HBD
61.0
PSA (Ų)
0.23
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 C24H18Br2N2O2
MW 526.23
Aromatic Rings 5
Heavy Atoms 30
NP-Likeness 0.05

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