PF-00489791

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 2S27T3DSZ3

Structure
InChI Key ZUHZNKJIJDAJFD-UHFFFAOYSA-N
Smile 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

Action Mechanism of Action Reference
INHIBITOR Phosphodiesterase 5A inhibitor Other PubMed PubMed
Primary Target
phosphodiesterase 5A
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Phosphodiesterase Phosphodiesterase 5 Phosphodiesterase 5A
- 1 - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Diabetic Nephropathies 2 D003928 ClinicalTrials
Hypertension 2 D006973 ClinicalTrials
Hypertension, Pulmonary 2 D006976 ClinicalTrials
Raynaud Disease 2 D011928 ClinicalTrials

Cross References

Resources Reference
CAS NUMBER 853003-48-2
ChEMBL CHEMBL4210847
DrugBank DB11736
FDA SRS 2S27T3DSZ3
Guide to Pharmacology 8377
PubChem 11465695
SureChEMBL SCHEMBL331279
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