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Compound Detail

CHEMBL1782246

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COc1c(O)cc2oc3cc4c(c(O)c3c(=O)c2c1CCC(C)(C)O)CCC(C)(C)O4.O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1782246
Phase Preclinical
Structure Type MOL
InChI Key LBKFMQRUEAWEOG-UHFFFAOYSA-N
Parent Compound CHEMBL1789656
Active Moiety CHEMBL1789656
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

428.5
MW (Da)
4.17
ALogP
7
HBA
3
HBD
109.4
PSA (Ų)
0.54
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H30O8
MW 446.50
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness 2.14

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