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Compound Detail

CHEMBL1207992

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COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2OS(=O)(=O)O)ccc1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1207992
Phase Preclinical
Structure Type MOL
InChI Key CZFNXFXZXWDYMZ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

396.3
MW (Da)
1.77
ALogP
9
HBA
4
HBD
163.7
PSA (Ų)
0.48
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 C16H12O10S
MW 396.33
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness 1.50

Data from ChEMBL 36 via Core Engine