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Compound Detail

CHEMBL5181878

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COc1cc(OC)c(-c2c(C)cc(O)c3c2C(=O)c2cccc(O)c2C3=O)c(O)c1C(C)=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5181878
Phase Preclinical
Structure Type MOL
InChI Key HGCQHQWCCLUFQZ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

448.4
MW (Da)
3.77
ALogP
8
HBA
3
HBD
130.4
PSA (Ų)
0.40
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C25H20O8
MW 448.43
Aromatic Rings 3
Heavy Atoms 33
NP-Likeness 1.26

Literature References

PubMed DOI Target Context # Activities
33333397 10.1016/j.ejmech.2020.113084 Plasmodium falciparum 1

Data from ChEMBL 36 via Core Engine