EcoDrugPlus


Synonyms	Gisadenafil UK-369,003 UK-369003
Status
Molecule Category	Free-form
UNII	S6G4R7DI1C

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Active Pharmaceutical Ingredients

Bioactive chemicals

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Human Metabolites

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SubStructure

Threshold (%) >= 70


InChI Key	YPFZMBHKIVDSNR-UHFFFAOYSA-N
Smiles	CCOc1ncc(S(=O)(=O)N2CCN(CC)CC2)cc1-c1nc2c(CC)n(CCOC)nc2c(=O)[nH]1
InChI	InChI=1S/C23H33N7O5S/c1-5-18-19-20(27-30(18)12-13-34-4)22(31)26-21(25-19)17-14-16(15-24-23(17)35-7-3)36(32,33)29-10-8-28(6-2)9-11-29/h14-15H,5-13H2,1-4H3,(H,25,26,31)

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C23H33N7O5S
Molecular Weight	519.63
AlogP	1.12
Hydrogen Bond Acceptor	10.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	10.0
Polar Surface Area	135.54
Molecular species	NEUTRAL
Aromatic Rings	3.0
Heavy Atoms	36.0

Mechanism of Action	Action	Reference
Phosphodiesterase 5A inhibitor	INHIBITOR	PubMed

Targets	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Enzyme Phosphodiesterase Phosphodiesterase 5 Phosphodiesterase 5A	-	1.23	-	-	-

	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Homo sapiens	-	1.23	-	-	-

Target Conservation


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

Cross References

Resources	Reference
ChEMBL	CHEMBL1928262
DrugBank	DB11902
FDA SRS	S6G4R7DI1C
Guide to Pharmacology	6558
PubChem	135536943
SureChEMBL	SCHEMBL19518055
ZINC	ZINC000034016204

EcoDrug+ was developed under the PREMIER Innovative Medicines Initiative 2 Joint Undertaking (JU) under grant agreement No 875508. The JU receives support from the EU’s Horizon 2020 research and innovation programme and the European Federation of Pharmaceutical Industries and Associations (EFPIA). The views reflect only the authors’ perspective and the JU is not responsible for any use that may be made of the information EcoDrug+ contains.

Elements of EcoDrug+ were developed under the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT Center for Science Ltd is thanked for providing computational resources. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

Content of EcoDrug+ is provided without guarantee for correctness.

Cite Us:

Ashenafi Legehar, Siobhán Monaghan, Mael Briand, Akseli Niemelä, Leo Ghemtio, Ziaurrehman Tanoli, A Ross Brown, Charles R Tyler, Henri Xhaard, EcoDrug PLUS: an advanced database for drug target conservation analysis and environmental risk assessment, Nucleic Acids Research, 2025, gkaf1251 Read...

This work is licensed under Creative Commons Attribution-ShareAlike 4.0 International License

Last update: Monday, 3 November 2025

GISADENAFIL

Structure

Physicochemical Descriptors

Pharmacology

Target Conservation

Related Entries

Cross References