tunodafil   Click here for help

GtoPdb Ligand ID: 12099

Synonyms: yonkenafil (pseudo INN)
Compound class: Synthetic organic
Comment: Tunodafil (chemical structure extracted from WHO proposed INN list 127) is a phosphodiesterase 5 (PDE5) inhibitor. It is an analogue of sildenafil, but is a more potent PDE5 inhibitor than its predecessor. Tunodafil was developed for the treatment of erectile dysfunction, and has been examined for potential to protect against ischemic brain injury [1].
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 8
Topological polar surface area 108.91
Molecular weight 487.23
XLogP 3.44
No. Lipinski's rules broken 0
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Canonical SMILES CCOc1ccc(cc1c1[nH]c(=O)c2c(n1)n(CCC)cc2C)S(=O)(=O)N1CCN(CC1)CC
Isomeric SMILES C(C)Oc1c(cc(cc1)S(=O)(=O)N1CCN(CC1)CC)c1[nH]c(=O)c2c(n1)n(cc2C)CCC
InChI InChI=1S/C24H33N5O4S/c1-5-10-28-16-17(4)21-23(28)25-22(26-24(21)30)19-15-18(8-9-20(19)33-7-3)34(31,32)29-13-11-27(6-2)12-14-29/h8-9,15-16H,5-7,10-14H2,1-4H3,(H,25,26,30)
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
International Nonproprietary Names Click here for help
INN number INN
12290 tunodafil
Synonyms Click here for help
yonkenafil (pseudo INN)
Database Links Click here for help
CAS Registry No. 804518-63-6 (source: WHO INN record)
GtoPdb PubChem SID 472319221
PubChem CID 135489224
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