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Compound Detail

CHEMBL267233

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COc1ccc(C(c2oc(CO)cc(=O)c2O)c2oc(CO)cc(=O)c2O)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL267233
Phase Preclinical
Structure Type MOL
InChI Key OIRCQNUXBXXOEQ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

402.4
MW (Da)
1.18
ALogP
9
HBA
4
HBD
150.6
PSA (Ų)
0.48
QED
0
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 C20H18O9
MW 402.36
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness 0.36

Literature References

PubMed DOI Target Context # Activities
4020825 10.1021/jm00146a009 Mus musculus 3
1732542 10.1021/jm00080a010 FM3A 2
4020825 10.1021/jm00146a009 ADMET 2
1732542 10.1021/jm00080a010 ADMET 1
1732542 10.1021/jm00080a010 P388 1

Data from ChEMBL 36 via Core Engine