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Compound Detail

CHEMBL4453607

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COc1cc(-c2c3c4cc(OC)c(OS(=O)(=O)O)cc4oc(=O)c3n3ccc4cc(OC)c(OC)cc4c23)ccc1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4453607
Phase Preclinical
Structure Type MOL
InChI Key VFMRKCRAFSNPPO-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

593.6
MW (Da)
4.94
ALogP
11
HBA
2
HBD
155.4
PSA (Ų)
0.19
QED
2
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C29H23NO11S
MW 593.57
Aromatic Rings 6
Heavy Atoms 42
NP-Likeness 0.92

Literature References

PubMed DOI Target Context # Activities
31306000 10.1021/acs.jnatprod.9b00493 HCT-116 1

Data from ChEMBL 36 via Core Engine