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Compound Detail

CHEMBL571813

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O=C1Nc2ccc(Br)cc2/C1=N/c1ccc(I)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL571813
Phase Preclinical
Structure Type MOL
InChI Key CNLOLZXHFKDMEN-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

427.0
MW (Da)
4.13
ALogP
2
HBA
1
HBD
41.5
PSA (Ų)
0.68
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H8BrIN2O
MW 427.04
Aromatic Rings 2
Heavy Atoms 19
NP-Likeness -1.38

Literature References

PubMed DOI Target Context # Activities
19651509 10.1016/j.bmcl.2009.03.004 Transthyretin 3

Data from ChEMBL 36 via Core Engine