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Compound Detail

CHEMBL4290659

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C=C1C(=O)N(c2cc(OC)c(OC)c(OC)c2)[C@H]1c1ccc(OC)c(OCc2ccccc2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4290659
Phase Preclinical
Structure Type MOL
InChI Key ZFWINYGMOBCQFT-RUZDIDTESA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

461.5
MW (Da)
4.94
ALogP
6
HBA
0
HBD
66.5
PSA (Ų)
0.33
QED
0
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H27NO6
MW 461.51
Aromatic Rings 3
Heavy Atoms 34
NP-Likeness -0.18

Literature References

PubMed DOI Target Context # Activities
29306206 10.1016/j.ejmech.2017.12.004 A2780 1
29306206 10.1016/j.ejmech.2017.12.004 MDA-MB-231 1
29306206 10.1016/j.ejmech.2017.12.004 SK-OV-3 1
29306206 10.1016/j.ejmech.2017.12.004 HeLa 1

Data from ChEMBL 36 via Core Engine