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Compound Detail

CHEMBL518224

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CC(C)C(=O)O[C@@H]1c2c(ccc3ccc(=O)oc23)OC(C)(C)[C@@H]1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL518224
Phase Preclinical
Structure Type MOL
InChI Key JHCPPFWOQPOFRF-HZPDHXFCSA-N
0
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

332.4
MW (Da)
2.57
ALogP
6
HBA
1
HBD
86.0
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 C18H20O6
MW 332.35
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness 2.13

Activity Summary

IC50 2 meas.

Literature References

PubMed DOI Target Context # Activities
12088423 10.1021/np010448t Calmodulin 2
12088423 10.1021/np010448t Amaranthus hypochondriacus 1
12088423 10.1021/np010448t Echinochloa crus-galli 1

Data from ChEMBL 36 via Core Engine