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Compound Detail

CHEMBL2397754

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COc1cc2c(cc1O)C(=O)C[C@@H](c1ccc(O)cc1)O2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2397754
Phase Preclinical
Structure Type MOL
InChI Key XQZKTABHCQFBQV-AWEZNQCLSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

286.3
MW (Da)
2.81
ALogP
5
HBA
2
HBD
76.0
PSA (Ų)
0.89
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 C16H14O5
MW 286.28
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness 1.52

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