NAMODENOSON

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: Z07JR07J6C

Structure
InChI Key IPSYPUKKXMNCNQ-PFHKOEEOSA-N
Smile CNC(=O)[C@H]1O[C@@H](n2cnc3c(NCc4cccc(I)c4)nc(Cl)nc32)[C@H](O)[C@@H]1O
InChI
InChI=1S/C18H18ClIN6O4/c1-21-16(29)13-11(27)12(28)17(30-13)26-7-23-10-14(24-18(19)25-15(10)26)22-6-8-3-2-4-9(20)5-8/h2-5,7,11-13,17,27-28H,6H2,1H3,(H,21,29)(H,22,24,25)/t11-,12+,13-,17+/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C18H18ClIN6O4
Molecular Weight 544.74
AlogP 1.06
Hydrogen Bond Acceptor 9.0
Hydrogen Bond Donor 4.0
Number of Rotational Bond 5.0
Polar Surface Area 134.42
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 30.0

Pharmacology

Action Mechanism of Action Reference
AGONIST Adenosine A3 receptor agonist PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Serotonin receptor
- - - 10000 30
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Nucleotide-like receptor (family A GPCR) Adenosine receptor
1-4 1-2 - 0-60 -
Transcription factor Nuclear receptor Nuclear hormone receptor subfamily 1 Nuclear hormone receptor subfamily 1 group C Nuclear hormone receptor subfamily 1 group C member 1
- - - - 47
Transcription factor Nuclear receptor Nuclear hormone receptor subfamily 1 Nuclear hormone receptor subfamily 1 group C Nuclear hormone receptor subfamily 1 group C member 2
191-29800 - - 0 75
Transcription factor Nuclear receptor Nuclear hormone receptor subfamily 1 Nuclear hormone receptor subfamily 1 group C Nuclear hormone receptor subfamily 1 group C member 3
2940 - - 2 59
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC28 and SLC29 families of nucleoside transporters SLC29 Facilitative nucleoside transporter family
- - - 15200 -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Carcinoma, Hepatocellular 2 D006528 ClinicalTrials
Non-alcoholic Fatty Liver Disease 2 D065626 ClinicalTrials
Non-alcoholic Fatty Liver Disease 2 D065626 ClinicalTrials
Hepatitis C, Chronic 1 D019698 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL431733
DrugBank DB12885
EPA CompTox DTXSID80167504
FDA SRS Z07JR07J6C
Guide to Pharmacology 457
PubChem 3035850
SureChEMBL SCHEMBL1170028
ZINC ZINC000003995845
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