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Compound Detail

CHEMBL463635

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

Basic Information

ChEMBL ID CHEMBL463635
Phase Preclinical
Structure Type MOL
InChI Key MDDPVXHWOABQJQ-UONOGXRCSA-N
0
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

276.3
MW (Da)
2.01
ALogP
5
HBA
1
HBD
68.9
PSA (Ų)
0.81
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C15H16O5
MW 276.29
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness 2.31

Activity Summary

IC50 2 meas.

Literature References

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

Data from ChEMBL 36 via Core Engine