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Compound Detail

CHEMBL1782584

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CC(C)=CCC/C(C)=C/Cc1c(O)c(CC=C(C)C)c(O)c2c(=O)c3cc(OC(=O)c4ccccc4)ccc3oc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1782584
Phase Preclinical
Structure Type MOL
InChI Key GUXNTXIZDITJQS-HZHRSRAPSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

552.7
MW (Da)
8.32
ALogP
6
HBA
2
HBD
97.0
PSA (Ų)
0.09
QED
2
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C35H36O6
MW 552.67
Aromatic Rings 4
Heavy Atoms 41
NP-Likeness 1.34

Literature References

PubMed DOI Target Context # Activities
21428375 10.1021/np200051j HT-29 2
21428375 10.1021/np200051j Transcription factor p65 1

Data from ChEMBL 36 via Core Engine