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Compound Detail

CHEMBL4160084

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CC(C)=CCC/C(C)=C/Cc1cc(/C=C/c2cc(O)cc(Oc3ccc4c(c3)O[C@H](c3ccc(C/C=C(\C)CCC=C(C)C)c(O)c3O)[C@@H]4O)c2)cc(O)c1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4160084
Phase Preclinical
Structure Type MOL
InChI Key QOWVGNWSFMEAGC-IJEMBAIZSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

759.0
MW (Da)
11.81
ALogP
8
HBA
6
HBD
139.8
PSA (Ų)
0.04
QED
3
Ro5 Violations
15
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C48H54O8
MW 758.95
Aromatic Rings 4
Heavy Atoms 56
NP-Likeness 1.39

Literature References

PubMed DOI Target Context # Activities
28972755 10.1021/acs.jnatprod.7b00409 A549 1
28972755 10.1021/acs.jnatprod.7b00409 U-87 MG 1

Data from ChEMBL 36 via Core Engine