TONAPOFYLLINE

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 83VNU4U44T

Structure
InChI Key ZWTVVWUOTJRXKM-UHFFFAOYSA-N
Smile CCCn1c(=O)c2nc(C34CCC(CCC(=O)O)(CC3)CC4)[nH]c2n(CCC)c1=O
InChI
InChI=1S/C22H32N4O4/c1-3-13-25-17-16(18(29)26(14-4-2)20(25)30)23-19(24-17)22-10-7-21(8-11-22,9-12-22)6-5-15(27)28/h3-14H2,1-2H3,(H,23,24)(H,27,28)

Physicochemical Descriptors

Property Name Value
Molecular Formula C22H32N4O4
Molecular Weight 416.52
AlogP 3.16
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 8.0
Polar Surface Area 109.98
Molecular species ACID
Aromatic Rings 2.0
Heavy Atoms 30.0

Pharmacology

Action Mechanism of Action Reference
ANTAGONIST Adenosine A1 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
- - 0 1-1 -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Heart Failure 2 D006333 ClinicalTrials
Heart Failure 2 D006333 ClinicalTrials
Renal Insufficiency 2 D051437 ClinicalTrials
Liver Diseases 1 D008107 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
CAS NUMBER 340021-17-2
ChEMBL CHEMBL414157
DrugBank DB12569
EPA CompTox DTXSID30187611
FDA SRS 83VNU4U44T
Guide to Pharmacology 5605
PubChem 216466
SureChEMBL SCHEMBL1565483
ZINC ZINC000000603777
CONTENTS