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Compound Detail

CHEMBL1172321

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COc1cc(OC)c2c(c1)O/C(=C\c1ccc(O)cc1O)C2=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1172321
Phase Preclinical
Structure Type MOL
InChI Key QOXZWOQWCGKLOK-WCSRMQSCSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

314.3
MW (Da)
2.73
ALogP
6
HBA
2
HBD
85.2
PSA (Ų)
0.85
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H14O6
MW 314.29
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness 0.56

Literature References

PubMed DOI Target Context # Activities
20392544 10.1016/j.ejmech.2010.03.023 NAD(P)H dehydrogenase [quinone] 1 2
20392544 10.1016/j.ejmech.2010.03.023 ADMET 1
36462443 10.1016/j.ejmech.2022.114972 Tyrosinase 1

Data from ChEMBL 36 via Core Engine