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Compound Detail

CHEMBL4091794

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O=C(Cc1ccccc1Br)NO
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4091794
Phase Preclinical
Structure Type MOL
InChI Key LSQXKOFBGLKCHO-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

230.1
MW (Da)
1.50
ALogP
2
HBA
2
HBD
49.3
PSA (Ų)
0.60
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C8H8BrNO2
MW 230.06
Aromatic Rings 1
Heavy Atoms 12
NP-Likeness -0.81

Literature References

PubMed DOI Target Context # Activities
28262526 10.1016/j.bmcl.2017.01.080 MDA-MB-231 2

Data from ChEMBL 36 via Core Engine