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Compound Detail

CHEMBL4066438

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O=C1Nc2cc(Br)c(Br)cc2/C1=C1/Nc2ccccc2C1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4066438
Phase Preclinical
Structure Type MOL
InChI Key FAROQGONMLKPOO-YPKPFQOOSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

420.1
MW (Da)
4.18
ALogP
3
HBA
2
HBD
58.2
PSA (Ų)
0.63
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H8Br2N2O2
MW 420.06
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness 0.35

Literature References

PubMed DOI Target Context # Activities
28743492 10.1016/j.bmc.2017.07.009 HepG2 1

Data from ChEMBL 36 via Core Engine