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Compound Detail

CHEMBL252790

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O=C(c1ccc(O)cc1O)[C@@H](O)Cc1ccc(O)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL252790
Phase Preclinical
Structure Type MOL
InChI Key SLKHLLNCFGPWAZ-AWEZNQCLSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
6
Publications
0
Known Names

Molecular Properties

274.3
MW (Da)
1.59
ALogP
5
HBA
4
HBD
98.0
PSA (Ų)
0.63
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 C15H14O5
MW 274.27
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness 1.16

Literature References

PubMed DOI Target Context # Activities
18440233 10.1016/j.bmc.2008.04.016 NON-PROTEIN TARGET 3
17950610 10.1016/j.bmc.2007.10.004 PANC-1 1
18440233 10.1016/j.bmc.2008.04.016 A549 1
18440233 10.1016/j.bmc.2008.04.016 HeLa 1
18440233 10.1016/j.bmc.2008.04.016 HT-1080 1
23127886 10.1016/j.bmcl.2012.10.055 RAW264.7 1

Data from ChEMBL 36 via Core Engine