TOZADENANT

Search structure
Synonyms:
Status: Phase 3
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: D9K857J81I

Structure
InChI Key XNBRWUQWSKXMPW-UHFFFAOYSA-N
Smile COc1ccc(N2CCOCC2)c2sc(NC(=O)N3CCC(C)(O)CC3)nc12
InChI
InChI=1S/C19H26N4O4S/c1-19(25)5-7-23(8-6-19)18(24)21-17-20-15-14(26-2)4-3-13(16(15)28-17)22-9-11-27-12-10-22/h3-4,25H,5-12H2,1-2H3,(H,20,21,24)

Physicochemical Descriptors

Property Name Value
Molecular Formula C19H26N4O4S
Molecular Weight 406.51
AlogP 2.52
Hydrogen Bond Acceptor 7.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 3.0
Polar Surface Area 87.16
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 28.0

Pharmacology

Action Mechanism of Action Reference
ANTAGONIST Adenosine A2a receptor antagonist PubMed PubMed Other
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
- - - 0-11 -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Parkinson Disease 3 D010300 ClinicalTrials
Liver Diseases 1 D008107 ClinicalTrials
Cocaine-Related Disorders 0 D019970 ClinicalTrials

Cross References

Resources Reference
ChEMBL CHEMBL2105747
DrugBank DB12203
FDA SRS D9K857J81I
Guide to Pharmacology 5611
PDB 9XW
SureChEMBL SCHEMBL1628246
ZINC ZINC000013986943
CONTENTS