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Compound Detail

CHEMBL467194

ARTOCARPANONE
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COc1cc(O)c2c(c1)O[C@H](c1ccc(O)cc1O)CC2=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL467194
Name ARTOCARPANONE
Phase Preclinical
Structure Type MOL
InChI Key FQGBGNHGEUOZIW-AWEZNQCLSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

302.3
MW (Da)
2.52
ALogP
6
HBA
3
HBD
96.2
PSA (Ų)
0.79
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 C16H14O6
MW 302.28
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness 1.82

Activity Summary

IC50 2 meas. best 4.39

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
NON-PROTEIN TARGET
CHEMBL3879801
 IC50 4.39 4.215 41000.0 2

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
NON-PROTEIN TARGET IC50 = 41000.0 nM 4.39 Antiplatelet activity against rabbit platelets assessed as arachidonic acid-indu... 8864236
NON-PROTEIN TARGET IC50 = 90700.0 nM 4.04 Antiplatelet activity against rabbit platelets assessed as collagen-induced plat... 8864236

Literature References

PubMed DOI Target Context # Activities
8864236 10.1021/np960376j NON-PROTEIN TARGET 6

Data from ChEMBL 36 via Core Engine