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Compound Detail

CHEMBL3827711

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COc1cc(OC)c2c(c1Cl)/C=C/CCCC(=O)CCC[C@H](C)OC2=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3827711
Phase Preclinical
Structure Type MOL
InChI Key KEJWPZLZSFYIMU-VKUYVZBCSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

380.9
MW (Da)
4.84
ALogP
5
HBA
0
HBD
61.8
PSA (Ų)
0.69
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 C20H25ClO5
MW 380.87
Aromatic Rings 1
Heavy Atoms 26
NP-Likeness 1.25

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