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Compound Detail

CHEMBL3828760

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COc1cc2c(c(OC)c1)C(=O)O[C@@H](C)CCC[C@@H](O)CCCCC2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3828760
Phase Preclinical
Structure Type MOL
InChI Key XGZFGCRWBLVDFU-HOCLYGCPSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

350.5
MW (Da)
3.90
ALogP
5
HBA
1
HBD
65.0
PSA (Ų)
0.82
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H30O5
MW 350.46
Aromatic Rings 1
Heavy Atoms 25
NP-Likeness 0.97

Literature References

PubMed DOI Target Context # Activities
27311894 10.1016/j.bmcl.2016.06.007 KB 2
27311894 10.1016/j.bmcl.2016.06.007 MCF7 2
27311894 10.1016/j.bmcl.2016.06.007 Vero 2

Data from ChEMBL 36 via Core Engine