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Compound Detail

CHEMBL1096045

ARTONIN K
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COc1cc(O)c2c(=O)c3cc4c5c(c(O)cc(O)c5c3oc2c1)OC4(C)C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1096045
Name ARTONIN K
Phase Preclinical
Structure Type MOL
InChI Key NNYSRZZINKAKJR-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

380.4
MW (Da)
3.85
ALogP
7
HBA
3
HBD
109.4
PSA (Ų)
0.34
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H16O7
MW 380.35
Aromatic Rings 4
Heavy Atoms 28
NP-Likeness 1.69

Literature References

PubMed DOI Target Context # Activities
20384315 10.1021/np1002065 HT-29 1
20384315 10.1021/np1002065 Transcription factor p65 1
20384315 10.1021/np1002065 Nuclear factor NF-kappa-B p105 subunit 1

Data from ChEMBL 36 via Core Engine