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Compound Detail

CHEMBL464293

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

Basic Information

ChEMBL ID CHEMBL464293
Phase Preclinical
Structure Type MOL
InChI Key IGMRYMQUDCGCFD-QZTJIDSGSA-N
0
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

360.4
MW (Da)
2.89
ALogP
7
HBA
0
HBD
92.0
PSA (Ų)
0.61
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C19H20O7
MW 360.36
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness 2.22

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