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Compound Detail

CHEMBL463075

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C/C(=C\Cc1cc(O)c(Br)cc1O)CCCC(C)(C)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL463075
Phase Preclinical
Structure Type MOL
InChI Key QOOBYOQJZDIWIK-IZZDOVSWSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

343.3
MW (Da)
4.29
ALogP
3
HBA
3
HBD
60.7
PSA (Ų)
0.53
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C16H23BrO3
MW 343.26
Aromatic Rings 1
Heavy Atoms 20
NP-Likeness 1.93

Literature References

PubMed DOI Target Context # Activities
12762791 10.1021/np0204038 HL-60 1
12762791 10.1021/np0204038 Radical scavenging activity 1

Data from ChEMBL 36 via Core Engine