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Compound Detail

CHEMBL241820

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CC(C)OC(=O)[C@@H](Cc1ccc(O)c(O)c1)OC(=O)/C=C/c1ccc(O)c(O)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL241820
Phase Preclinical
Structure Type MOL
InChI Key VMVONPLRAIDFOH-MTCRFPMVSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

402.4
MW (Da)
2.63
ALogP
8
HBA
4
HBD
133.5
PSA (Ų)
0.32
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H22O8
MW 402.40
Aromatic Rings 2
Heavy Atoms 29
NP-Likeness 0.82

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
17418581 10.1016/j.bmc.2006.06.059 Unchecked 1
17418581 10.1016/j.bmc.2006.06.059 Jurkat 1
17418581 10.1016/j.bmc.2006.06.059 No relevant target 1

Data from ChEMBL 36 via Core Engine