ROLOFYLLINE

Search structure
Synonyms:
Status: Phase 3
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 7805S5HIHX

Structure
InChI Key PJBFVWGQFLYWCB-UHFFFAOYSA-N
Smile CCCn1c(=O)c2nc(C34CC5CC(CC3C5)C4)[nH]c2n(CCC)c1=O
InChI
InChI=1S/C20H28N4O2/c1-3-5-23-16-15(17(25)24(6-4-2)19(23)26)21-18(22-16)20-10-12-7-13(11-20)9-14(20)8-12/h12-14H,3-11H2,1-2H3,(H,21,22)

Physicochemical Descriptors

Property Name Value
Molecular Formula C20H28N4O2
Molecular Weight 356.47
AlogP 2.78
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 5.0
Polar Surface Area 72.68
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 26.0

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
- - - 0-13 -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Heart Failure 3 D006333 ClinicalTrials
Heart Failure 3 D006333 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
CAS NUMBER 136199-02-5
ChEMBL CHEMBL52333
FDA SRS 7805S5HIHX
Guide to Pharmacology 5604
PubChem 11948288
SureChEMBL SCHEMBL18029490
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