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Compound Detail

CHEMBL2397761

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O=C(c1ccc(O)cc1O)[C@H](O)Cc1ccc(O)c(O)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2397761
Phase Preclinical
Structure Type MOL
InChI Key CYRHKFJOQQQLAM-CQSZACIVSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

290.3
MW (Da)
1.30
ALogP
6
HBA
5
HBD
118.2
PSA (Ų)
0.43
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C15H14O6
MW 290.27
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness 1.41

Literature References

PubMed DOI Target Context # Activities
23743282 10.1016/j.bmcl.2013.04.032 ADMET 1
23743282 10.1016/j.bmcl.2013.04.032 NON-PROTEIN TARGET 1

Data from ChEMBL 36 via Core Engine