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Compound Detail

CHEMBL1159420

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CC(C)(O)[C@H](O)Cc1cc2ccc(=O)oc2cc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1159420
Phase Preclinical
Structure Type MOL
InChI Key DMCVVAVPFHUPNH-UPPPXSOGSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

426.4
MW (Da)
-1.35
ALogP
10
HBA
6
HBD
170.1
PSA (Ų)
0.30
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C20H26O10
MW 426.42
Aromatic Rings 2
Heavy Atoms 30
NP-Likeness 2.00

Literature References

PubMed DOI Target Context # Activities
9873511 10.1016/s0960-894x(98)00391-6 Rattus norvegicus 2
9873511 10.1016/s0960-894x(98)00391-6 Mus musculus 2

Data from ChEMBL 36 via Core Engine