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Compound Detail

CHEMBL1782582

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COc1ccc2oc3c(C/C=C(\C)CCC=C(C)C)c(O)c(CC=C(C)C)c(O)c3c(=O)c2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1782582
Phase Preclinical
Structure Type MOL
InChI Key MIPRKJUEDRDLKR-YBFXNURJSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

462.6
MW (Da)
7.11
ALogP
5
HBA
2
HBD
79.9
PSA (Ų)
0.28
QED
1
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C29H34O5
MW 462.59
Aromatic Rings 3
Heavy Atoms 34
NP-Likeness 1.73

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