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Compound Detail

CHEMBL449490

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CC(C)C(=O)O[C@@H]1Cc2c(ccc3ccc(=O)oc23)OC1(C)C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL449490
Phase Preclinical
Structure Type MOL
InChI Key PKHNHXIOSSYBJU-CQSZACIVSA-N
0
Targets
2
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names

Molecular Properties

316.4
MW (Da)
3.07
ALogP
5
HBA
0
HBD
65.7
PSA (Ų)
0.63
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 C18H20O5
MW 316.35
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness 2.16

Activity Summary

IC50 2 meas.

Literature References

PubMed DOI Target Context # Activities
28571822 10.1016/j.bmcl.2017.05.054 Hep 3B2 17
28571822 10.1016/j.bmcl.2017.05.054 NIH3T3 10
12088423 10.1021/np010448t Lemna aequinoctialis 8
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