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Compound Detail

CHEMBL563676

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CCOC(=O)CCc1c(C)c2ccc(OCc3cccc4ccccc34)cc2oc1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL563676
Phase Preclinical
Structure Type MOL
InChI Key HXVIUFGPIMSLQN-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

416.5
MW (Da)
5.33
ALogP
5
HBA
0
HBD
65.7
PSA (Ų)
0.30
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C26H24O5
MW 416.47
Aromatic Rings 4
Heavy Atoms 31
NP-Likeness -0.47

Literature References

PubMed DOI Target Context # Activities
19477652 10.1016/j.bmc.2009.05.014 Unchecked 1

Data from ChEMBL 36 via Core Engine