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Compound Detail

CHEMBL4280535

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COc1ccc(/C=C2\CCC/C(=C\c3cccc(OC)c3OC)C2=O)c(OC)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4280535
Phase Preclinical
Structure Type MOL
InChI Key CAYHSFUNRXGULH-HBKJEHTGSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
6
Publications
0
Known Names

Molecular Properties

394.5
MW (Da)
4.94
ALogP
5
HBA
0
HBD
54.0
PSA (Ų)
0.65
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H26O5
MW 394.47
Aromatic Rings 2
Heavy Atoms 29
NP-Likeness -0.37

Literature References

PubMed DOI Target Context # Activities
30138803 10.1016/j.ejmech.2018.08.039 SW-620 2
30138803 10.1016/j.ejmech.2018.08.039 A549 2
30138803 10.1016/j.ejmech.2018.08.039 Unchecked 2
30138803 10.1016/j.ejmech.2018.08.039 HT-1080 2
30138803 10.1016/j.ejmech.2018.08.039 MCF7 2
30138803 10.1016/j.ejmech.2018.08.039 NHDF 1

Data from ChEMBL 36 via Core Engine