PF-00489791   Click here for help

GtoPdb Ligand ID: 8377

Synonyms: PF-489,791 | PF-489791
Compound class: Synthetic organic
Comment: PF-00489791 is a long-acting, selective and competitive inhibitor of phosphodiesterase 5 (gene symbol PDE5A) inhibitor which is reported to reduce systemic blood pressure in patients with hypertension [2].
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 11
Hydrogen bond donors 2
Rotatable bonds 11
Topological polar surface area 152.61
Molecular weight 476.2
XLogP 2.11
No. Lipinski's rules broken 1
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Canonical SMILES CCOCCn1nc(c2c1c(Nc1nccc(c1)C)nc(n2)N(CC)C)C(=O)NS(=O)(=O)C
Isomeric SMILES CCOCCn1nc(c2c1c(Nc1nccc(c1)C)nc(n2)N(CC)C)C(=O)NS(=O)(=O)C
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)
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
Synonyms Click here for help
PF-489,791 | PF-489791
Database Links Click here for help
CAS Registry No. 853003-48-2
GtoPdb PubChem SID 252166589
PubChem CID 11465695
Search Google for chemical match using the InChIKey ZUHZNKJIJDAJFD-UHFFFAOYSA-N
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UniChem Compound Search for chemical match using the InChIKey ZUHZNKJIJDAJFD-UHFFFAOYSA-N
UniChem Connectivity Search for chemical match using the InChIKey ZUHZNKJIJDAJFD-UHFFFAOYSA-N