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Compound Detail

CHEMBL3577102

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C=CCc1cc2c(cc1O[C@@H](C)Cc1cc(OC)c(OC)c(OC)c1)OCO2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3577102
Phase Preclinical
Structure Type MOL
InChI Key ZUGSLMBBUQOTHL-AWEZNQCLSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

386.4
MW (Da)
4.18
ALogP
6
HBA
0
HBD
55.4
PSA (Ų)
0.60
QED
0
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C22H26O6
MW 386.44
Aromatic Rings 2
Heavy Atoms 28
NP-Likeness 0.59

Literature References

PubMed DOI Target Context # Activities
25650896 10.1021/np5008153 Aedes aegypti 1
25650896 10.1021/np5008153 Plasmodium falciparum 1
25650896 10.1021/np5008153 A2780 1

Data from ChEMBL 36 via Core Engine