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Compound Detail

CHEMBL3261714

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C=CCOc1cc2oc3cc(OC)c(CC=C(C)C)c(O)c3c(=O)c2c(CC=C(C)C)c1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3261714
Phase Preclinical
Structure Type MOL
InChI Key YJZYDVMRHVWODO-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

464.6
MW (Da)
6.25
ALogP
6
HBA
1
HBD
78.1
PSA (Ų)
0.30
QED
1
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H32O6
MW 464.56
Aromatic Rings 3
Heavy Atoms 34
NP-Likeness 1.48

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
24717154 10.1016/j.bmcl.2014.03.047 NON-PROTEIN TARGET 1

Data from ChEMBL 36 via Core Engine