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Compound Detail

CHEMBL460552

ARTOCARPETIN
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COc1cc(O)c2c(=O)cc(-c3ccc(O)cc3O)oc2c1

Basic Information

ChEMBL ID CHEMBL460552
Name ARTOCARPETIN
Phase Preclinical
Structure Type MOL
InChI Key VOCATNAJXJSCLN-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

300.3
MW (Da)
2.59
ALogP
6
HBA
3
HBD
100.1
PSA (Ų)
0.67
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C16H12O6
MW 300.27
Aromatic Rings 3
Heavy Atoms 22
NP-Likeness 1.30

Activity Summary

IC50 1 meas. best 4.02

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
NON-PROTEIN TARGET
CHEMBL3879801
IC50 4.02 4.02 95900.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
NON-PROTEIN TARGET IC50 = 95900.0 nM 4.02 Antiplatelet activity against rabbit platelets assessed as arachidonic acid-indu... 8864236

Literature References

PubMed DOI Target Context # Activities
8864236 10.1021/np960376j NON-PROTEIN TARGET 5
38640870 10.1016/j.ejmech.2024.116401 Staphylococcus aureus 1
38640870 10.1016/j.ejmech.2024.116401 Enterococcus faecalis 1

Data from ChEMBL 36 via Core Engine