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Compound Detail

CHEMBL3589401

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CCOC(=O)COc1cc(O)c2c(=O)c(OCC(=O)OCC)c(-c3ccc(OC)cc3)oc2c1CC=C(C)C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3589401
Phase Preclinical
Structure Type MOL
InChI Key XDMQAZDIBZRQSZ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

540.6
MW (Da)
4.57
ALogP
10
HBA
1
HBD
130.7
PSA (Ų)
0.26
QED
1
Ro5 Violations
12
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C29H32O10
MW 540.57
Aromatic Rings 3
Heavy Atoms 39
NP-Likeness 0.89

Literature References

PubMed DOI Target Context # Activities
26079090 10.1016/j.ejmech.2015.06.006 NON-PROTEIN TARGET 1
26079090 10.1016/j.ejmech.2015.06.006 MCF7 1
26079090 10.1016/j.ejmech.2015.06.006 Vero 1
26079090 10.1016/j.ejmech.2015.06.006 A549 1

Data from ChEMBL 36 via Core Engine