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Compound Detail

CHEMBL515475

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COc1cc(COC(=O)CCC(=O)O)c(-c2ccccc2COC(=O)CCC(=O)O)c(OC)c1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL515475
Phase Preclinical
Structure Type MOL
InChI Key LBRDXIPAJLGUJT-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

504.5
MW (Da)
3.20
ALogP
9
HBA
2
HBD
154.9
PSA (Ų)
0.36
QED
1
Ro5 Violations
14
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H28O11
MW 504.49
Aromatic Rings 2
Heavy Atoms 36
NP-Likeness 0.34

Literature References

PubMed DOI Target Context # Activities
18782668 10.1016/j.bmcl.2008.08.050 DU-145 1
18782668 10.1016/j.bmcl.2008.08.050 A549 1
18782668 10.1016/j.bmcl.2008.08.050 KB 1
18782668 10.1016/j.bmcl.2008.08.050 NON-PROTEIN TARGET 1

Data from ChEMBL 36 via Core Engine