PF-00489791

/static/temp/default.svg Search structure
Synonyms
Status
Molecule Category Free-form
UNII 2S27T3DSZ3

Structure

InChI Key ZUHZNKJIJDAJFD-UHFFFAOYSA-N
Smiles CCOCCn1nc(C(=O)NS(C)(=O)=O)c2nc(N(C)CC)nc(Nc3cc(C)ccn3)c21
InChI
InChI=1S/C20H28N8O4S/c1-6-27(4)20-23-15-16(19(29)26-33(5,30)31)25-28(10-11-32-7-2)17(15)18(24-20)22-14-12-13(3)8-9-21-14/h8-9,12H,6-7,10-11H2,1-5H3,(H,26,29)(H,21,22,23,24)

Physicochemical Descriptors

Property Name Value
Molecular Formula C20H28N8O4S
Molecular Weight 476.56
AlogP 1.46
Hydrogen Bond Acceptor 11.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 10.0
Polar Surface Area 144.23
Molecular species ACID
Aromatic Rings 3.0
Heavy Atoms 33.0

Pharmacology

Mechanism of Action Action Reference
Phosphodiesterase 5A inhibitor INHIBITOR Other PubMed PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Phosphodiesterase Phosphodiesterase 5 Phosphodiesterase 5A
- 0.5012 - - -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
- 0.5012 - - -

Target Conservation

Protein: Phosphodiesterase 5A
Description: cGMP-specific 3',5'-cyclic phosphodiesterase
Organism : Homo sapiens
O76074 ENSG00000138735

Cross References

Resources Reference
ChEMBL CHEMBL4210847
DrugBank DB11736
FDA SRS 2S27T3DSZ3
Guide to Pharmacology 8377
PubChem 11465695
SureChEMBL SCHEMBL331279
CONTENTS