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Compound Detail

CHEMBL3827144

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COc1cc2c(c(OC)c1)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3827144
Phase Preclinical
Structure Type MOL
InChI Key MYILAUURZUNHGP-KVEVGEHQSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

346.4
MW (Da)
4.19
ALogP
5
HBA
0
HBD
61.8
PSA (Ų)
0.75
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 C20H26O5
MW 346.42
Aromatic Rings 1
Heavy Atoms 25
NP-Likeness 1.36

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