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Compound Detail

CHEMBL517484

ENGELETIN
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C[C@@H]1O[C@@H](O[C@@H]2Cc3c(O)cc(O)cc3O[C@@H]2c2ccc(O)cc2)[C@H](O)[C@H](O)[C@H]1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL517484
Name ENGELETIN
Phase Preclinical
Structure Type MOL
InChI Key SQJLTDFIOMWZDE-LPKHTLNGSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

420.4
MW (Da)
0.69
ALogP
9
HBA
6
HBD
149.1
PSA (Ų)
0.42
QED
1
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C21H24O9
MW 420.41
Aromatic Rings 2
Heavy Atoms 30
NP-Likeness 2.34

Literature References

PubMed DOI Target Context # Activities
25769817 10.1016/j.bmcl.2015.02.048 Unchecked 3
11858749 10.1021/np010451c Prostaglandin G/H synthase 1 1
11858749 10.1021/np010451c Prostaglandin G/H synthase 2 1

Data from ChEMBL 36 via Core Engine