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Compound Detail

CHEMBL1096730

ARTORIGIDIN C
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C=C(C)c1cc2c(=O)c3c(O)c(CC=C(C)C)c(O)cc3oc2c2c1C(=O)C(O)=C(CC=C(C)C)C2=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1096730
Name ARTORIGIDIN C
Phase Preclinical
Structure Type MOL
InChI Key DSVHQYRQFHXUGW-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

500.6
MW (Da)
6.45
ALogP
7
HBA
3
HBD
125.0
PSA (Ų)
0.27
QED
2
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C30H28O7
MW 500.55
Aromatic Rings 3
Heavy Atoms 37
NP-Likeness 1.91

Literature References

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

Data from ChEMBL 36 via Core Engine