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Compound Detail

CHEMBL2315200

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Cc1oc2c(C)c3oc(=O)cc(C)c3cc2c1Br
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2315200
Phase Preclinical
Structure Type MOL
InChI Key IAEBDGOCLZNYMC-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

307.1
MW (Da)
4.23
ALogP
3
HBA
0
HBD
43.4
PSA (Ų)
0.58
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 C14H11BrO3
MW 307.14
Aromatic Rings 3
Heavy Atoms 18
NP-Likeness -0.17

Literature References

PubMed DOI Target Context # Activities
23291118 10.1016/j.ejmech.2012.11.043 Radical scavenging activity 2
23291118 10.1016/j.ejmech.2012.11.043 No relevant target 1
23291118 10.1016/j.ejmech.2012.11.043 Unchecked 1

Data from ChEMBL 36 via Core Engine