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Compound Detail

CHEMBL3237333

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COc1ccccc1C(c1c[nH]c2ccc(Br)cc12)c1c[nH]c2ccc(Br)cc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3237333
Phase Preclinical
Structure Type MOL
InChI Key FMEYJHWWNORQTD-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

510.2
MW (Da)
7.36
ALogP
1
HBA
2
HBD
40.8
PSA (Ų)
0.26
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 C24H18Br2N2O
MW 510.23
Aromatic Rings 5
Heavy Atoms 29
NP-Likeness -0.33

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