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Compound Detail

CHEMBL196024

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COc1cc(O)c2c(c1)CCCCC[C@H](O)CCC[C@H](C)OC2=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL196024
Phase Preclinical
Structure Type MOL
InChI Key ZOIYDULGILECSU-ZFWWWQNUSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

336.4
MW (Da)
3.59
ALogP
5
HBA
2
HBD
76.0
PSA (Ų)
0.77
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H28O5
MW 336.43
Aromatic Rings 1
Heavy Atoms 24
NP-Likeness 1.22

Activity Summary

IC50 1 meas.

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 1

Data from ChEMBL 36 via Core Engine