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Compound Detail

CHEMBL564769

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Cc1c(O)cc2occ(-c3ccc(O)cc3)c(=O)c2c1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL564769
Phase Preclinical
Structure Type MOL
InChI Key DPFIBLHIYGLZEN-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

284.3
MW (Da)
2.89
ALogP
5
HBA
3
HBD
90.9
PSA (Ų)
0.64
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C16H12O5
MW 284.27
Aromatic Rings 3
Heavy Atoms 21
NP-Likeness 1.46

Literature References

PubMed DOI Target Context # Activities
19102656 10.1021/np800535g Unchecked 1
19102656 10.1021/np800535g ADMET 1

Data from ChEMBL 36 via Core Engine