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Compound Detail

CHEMBL467332

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COc1cc(C=O)cc(Br)c1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL467332
Phase Preclinical
Structure Type MOL
InChI Key KLSHZDPXXKAHIJ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

231.0
MW (Da)
1.98
ALogP
3
HBA
1
HBD
46.5
PSA (Ų)
0.79
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C8H7BrO3
MW 231.04
Aromatic Rings 1
Heavy Atoms 12
NP-Likeness 0.61

Literature References

PubMed DOI Target Context # Activities
15387639 10.1021/np0305268 DLD-1 1
15387639 10.1021/np0305268 HCT-116 1

Data from ChEMBL 36 via Core Engine