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Compound Detail

CHEMBL3261724

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C#CCOc1c(O)cc2oc3cc(O)c(CC=C(C)C)c(O)c3c(=O)c2c1CC=C(C)C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3261724
Phase Preclinical
Structure Type MOL
InChI Key BJGSHYUDCVPCPA-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

434.5
MW (Da)
5.09
ALogP
6
HBA
3
HBD
100.1
PSA (Ų)
0.28
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H26O6
MW 434.49
Aromatic Rings 3
Heavy Atoms 32
NP-Likeness 1.36

Literature References

PubMed DOI Target Context # Activities
24717154 10.1016/j.bmcl.2014.03.047 NCI-H460 1
24717154 10.1016/j.bmcl.2014.03.047 SW-620 1
24717154 10.1016/j.bmcl.2014.03.047 ASPC1 1
24717154 10.1016/j.bmcl.2014.03.047 MDA-MB-231 1

Data from ChEMBL 36 via Core Engine