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Compound Detail

CHEMBL1782245

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COc1c(OC(=O)c2ccccc2)cc2oc3cc(O)c(CC=C(C)C)c(O)c3c(=O)c2c1CC=C(C)C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1782245
Phase Preclinical
Structure Type MOL
InChI Key PZHXWXLAJJOECM-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

514.6
MW (Da)
6.60
ALogP
7
HBA
2
HBD
106.2
PSA (Ų)
0.12
QED
2
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C31H30O7
MW 514.57
Aromatic Rings 4
Heavy Atoms 38
NP-Likeness 1.38

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