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Compound Detail

CHEMBL465047

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COC(=O)[C@]1(Cc2ccc(OS(=O)(=O)O)c(CC=C(C)C)c2)OC(=O)C(O)=C1c1ccc(O)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL465047
Phase Preclinical
Structure Type MOL
InChI Key NWSMSBOLLCRCSY-XMMPIXPASA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

504.5
MW (Da)
3.06
ALogP
9
HBA
3
HBD
156.7
PSA (Ų)
0.28
QED
1
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C24H24O10S
MW 504.51
Aromatic Rings 2
Heavy Atoms 35
NP-Likeness 1.72

Literature References

PubMed DOI Target Context # Activities
18271552 10.1021/np070341r Unchecked 3
18271552 10.1021/np070341r Glycogen synthase kinase-3 1
18271552 10.1021/np070341r Dual specificity tyrosine-phosphorylation-regulated kinase 1A 1

Data from ChEMBL 36 via Core Engine