VIPADENANT

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Synonyms
Status
Molecule Category Free-form
UNII LDR3USH1NJ
EPA CompTox DTXSID90196103

Structure

InChI Key HQSBCDPYXDGTCL-UHFFFAOYSA-N
Smiles Cc1cc(Cn2nnc3c(-c4ccco4)nc(N)nc32)ccc1N
InChI
InChI=1S/C16H15N7O/c1-9-7-10(4-5-11(9)17)8-23-15-14(21-22-23)13(19-16(18)20-15)12-3-2-6-24-12/h2-7H,8,17H2,1H3,(H2,18,19,20)

Physicochemical Descriptors

Property Name Value
Molecular Formula C16H15N7O
Molecular Weight 321.34
AlogP 2.0
Hydrogen Bond Acceptor 8.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 3.0
Polar Surface Area 121.67
Molecular species NEUTRAL
Aromatic Rings 4.0
Heavy Atoms 24.0

Pharmacology

Mechanism of Action Action Reference
Adenosine A2a receptor antagonist ANTAGONIST PubMed 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) Nucleotide-like receptor (family A GPCR) Adenosine receptor
- - 0.631-100 1.3-68 -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
- - 0.631-100 1.3-68 -

Target Conservation

Protein: Adenosine A2a receptor
Description: Adenosine receptor A2a
Organism : Homo sapiens
P29274 ENSG00000128271

Related Entries

Cross References

Resources Reference
ChEMBL CHEMBL447664
DrugBank DB06625
FDA SRS LDR3USH1NJ
Guide to Pharmacology 5612
PDB 9XT
PubChem 21874557
SureChEMBL SCHEMBL2849027
ZINC ZINC000040863182
CONTENTS