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Compound Detail

CHEMBL7348

THERALIN
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COc1cc(O)ccc1-c1coc2cc(O)cc(O)c2c1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL7348
Name THERALIN
Phase Preclinical
Structure Type MOL
InChI Key JNJLRXUXPJHPCK-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
6
Publications
0
Known Names

Molecular Properties

300.3
MW (Da)
2.59
ALogP
6
HBA
3
HBD
100.1
PSA (Ų)
0.67
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 C16H12O6
MW 300.27
Aromatic Rings 3
Heavy Atoms 22
NP-Likeness 1.48

Literature References

PubMed DOI Target Context # Activities
19928832 10.1021/np900676y T47D 4
19928832 10.1021/np900676y MCF7 4
15013012 10.1016/j.bmcl.2003.11.074 Rattus norvegicus 2
15013012 10.1016/j.bmcl.2003.11.074 Mus musculus 2
15013012 10.1016/j.bmcl.2003.11.074 Beta-glucuronidase 1
15013012 10.1016/j.bmcl.2003.11.074 Lysozyme C 1

Data from ChEMBL 36 via Core Engine