ST1535

Search structure
Synonyms:
Status: Phase 1
Entry Type: Small molecule
Molecule Category: UNKNOWN

Structure
InChI Key CYYQMAWUIRPCNW-UHFFFAOYSA-N
Smile CCCCc1nc(N)c2nc(-n3nccn3)n(C)c2n1
InChI
InChI=1S/C12H16N8/c1-3-4-5-8-16-10(13)9-11(17-8)19(2)12(18-9)20-14-6-7-15-20/h6-7H,3-5H2,1-2H3,(H2,13,16,17)

Physicochemical Descriptors

Property Name Value
Molecular Formula C12H16N8
Molecular Weight 272.32
AlogP 0.87
Hydrogen Bond Acceptor 8.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 4.0
Polar Surface Area 100.33
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 20.0

Pharmacology

Action Mechanism of Action Reference
ANTAGONIST Adenosine A2a receptor 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
- 430 - 7-11 -
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC28 and SLC29 families of nucleoside transporters SLC29 Facilitative nucleoside transporter family
- - - - 24

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL197669
EPA CompTox DTXSID60432000
Guide to Pharmacology 5613
SureChEMBL SCHEMBL5362208
ZINC ZINC000001554291
CONTENTS