Mirodenafil
5-ethyl-2-[5-[4-(2-hydroxyethyl)piperazin-1-yl]sulfonyl-2-propoxyphenyl]-7-propyl-3H-pyrrolo[3,2-d]pyrimidin-4-one
Molecular Identity
Mirodenafil
5-ethyl-2-[5-[4-(2-hydroxyethyl)piperazin-1-yl]sulfonyl-2-propoxyphenyl]-7-propyl-3H-pyrrolo[3,2-d]pyrimidin-4-one
PubChem CID: 135497803
Mirodenafil is a member of the class of pyrrolopyrimidines that is 3,5-dihydro-4H-pyrrolo[3,2-d]pyrimidin-4-one having a 5-{[4-(2-hydroxyethyl)piperazin-1-yl]sulfonyl}-2-propoxyphenyl group at positon 2, ethyl group at position 5, and a propyl group at position 7. It is a phosphodiesterase type 5 inhibitor which is used for the treatment of erectile dysfunction. It has a role as a vasodilator agent and an EC 3.1.4.35 (3',5'-cyclic-GMP phosphodiesterase) inhibitor. It is a primary alcohol, a sulfonamide, an aromatic ether, a pyrrolopyrimidine and a N-alkylpiperazine.
2D Structure
Properties
C26H37N5O5S
Molecular Formula
531.70
Molecular Weight
g/mol
531.2515
Exact Mass
Da
2.2
XLogP
Drug-like (Lipinski: < 5)
125
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
8
H-Bond Acceptors
902
Complexity
SMILES
Canonical SMILES
SMILES: CCCC1=CN(C2=C1N=C(NC2=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCN(CC4)CCO)OCCC)CCIsomeric SMILES
SMILES: CCCC1=CN(C2=C1N=C(NC2=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCN(CC4)CCO)OCCC)CCSynonyms(20)
MIRODENAFIL862189-95-5mirodenafilomirodenafilumSK-3530SK3530 FREE BASE504G362H0HSK-3530 FREE BASECHEBI:136049DTXSID508812655-ethyl-2-(5-(4-(2-hydroxyethyl)piperazine-1-sulfonyl)-2-propoxyphenyl)-7-propyl-3,5-dihydro-4H-pyrrolo(3,2-d)pyrimidin-4-one5-ethyl-2-[5-[4-(2-hydroxyethyl)piperazin-1-yl]sulfonyl-2-propoxyphenyl]-7-propyl-3H-pyrrolo[3,2-d]pyrimidin-4-one5-ETHYL-2-(5-((4-(2-HYDROXYETHYL)PIPERAZIN-1-YL)SULFONYL)-2-PROPOXYPHENYL)-7-PROPYL-3,5-DIHYDRO-4H-PYRROLO(3,2-D)PYRIMIDIN-4-ONE5-Ethyl-2-(5-((4-(2-hydroxyethyl)piperazin-1-yl)sulfonyl)-2-propoxyphenyl)-7-propyl-3,5-dihydro-4H-pyrrolo[3,2-d]pyrimidin-4-one5-ethyl-2-(5-(4-(2-hydroxyethyl)piperazin-1-yl)sulfonyl-2-propoxyphenyl)-7-propyl-3H-pyrrolo(3,2-d)pyrimidin-4-one
Data from PubChem (NCBI)
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