SILDENAFIL CITRATE

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Trade Names
Synonyms
Status
Molecule Category Salt-form
UNII BW9B0ZE037
EPA CompTox DTXSID4046076
Parent Compound: SILDENAFIL

Structure

InChI Key DEIYFTQMQPDXOT-UHFFFAOYSA-N
Smiles CCCc1nn(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)N4CCN(C)CC4)ccc3OCC)nc12.O=C(O)CC(O)(CC(=O)O)C(=O)O
InChI
InChI=1S/C22H30N6O4S.C6H8O7/c1-5-7-17-19-20(27(4)25-17)22(29)24-21(23-19)16-14-15(8-9-18(16)32-6-2)33(30,31)28-12-10-26(3)11-13-28;7-3(8)1-6(13,5(11)12)2-4(9)10/h8-9,14H,5-7,10-13H2,1-4H3,(H,23,24,29);13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)

Physicochemical Descriptors

Property Name Value
Molecular Formula C28H38N6O11S
Molecular Weight 666.71
AlogP 1.61
Hydrogen Bond Acceptor 8.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 7.0
Polar Surface Area 113.42
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 33.0

Metabolites Network

visNetwork

Pharmacology

Mechanism of Action Action Reference
Phosphodiesterase 5A inhibitor INHIBITOR DailyMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Phosphodiesterase Phosphodiesterase 5 Phosphodiesterase 5A
- 2.2-5.1 - - 13-91
Enzyme Phosphodiesterase Phosphodiesterase 6 Phosphodiesterase 6C
- - - - 8-85
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
- 3.5-5.1 - - 8-91
Sus scrofa
38 2.2 - - -

Target Conservation

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

Cross References

Resources Reference
ChEBI 58987
ChEMBL CHEMBL1737
FDA SRS BW9B0ZE037
Guide to Pharmacology 4743
KEGG C07259
PDB VIA
PubChem 135413523
SureChEMBL SCHEMBL33982
ZINC ZINC19796168
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