EcoDrugPlus


Trade Names	OMEPRAZOLE PRILOSEC
Synonyms	Antra H 168/68 H-168/68 Losec Losec mups Mezzopram Mopral NSC-751450 NSC-759192 Omeprazole Omeran Prilosec Zanprol
Status
Molecule Category	Free-form
ATC	A02BC01
UNII	KG60484QX9
EPA CompTox	DTXSID6021080

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SubStructure

Threshold (%) >= 70


InChI Key	SUBDBMMJDZJVOS-UHFFFAOYSA-N
Smiles	COc1ccc2[nH]c([S+]([O-])Cc3ncc(C)c(OC)c3C)nc2c1
InChI	InChI=1S/C17H19N3O3S/c1-10-8-18-15(11(2)16(10)23-4)9-24(21)17-19-13-6-5-12(22-3)7-14(13)20-17/h5-8H,9H2,1-4H3,(H,19,20)

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C17H19N3O3S
Molecular Weight	345.42
AlogP	2.9
Hydrogen Bond Acceptor	5.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	5.0
Polar Surface Area	77.1
Molecular species	NEUTRAL
Aromatic Rings	3.0
Heavy Atoms	24.0

Mechanism of Action	Action	Reference
Potassium-transporting ATPase inhibitor	INHIBITOR	FDA PubMed PubMed PubMed

Targets	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Enzyme Cytochrome P450 Cytochrome P450 family 2 Cytochrome P450 family 2C Cytochrome P450 2C19	-	-	-	-	93.4-93.4
Enzyme Hydrolase	-	250-501.19	-	-	95-100
Enzyme	-	250-501.19	-	-	93.4-93.4
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides	-	-	-	-	11.3-29.5
Transporter Primary active transporter P-type ATPase Hydrogen potassium ATPase	-	250-501.19	-	-	95-100

	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Canis lupus familiaris	-	-	-	-	53-97
Capra hircus	-	980	-	-	82.12
Entamoeba histolytica	-	492.2	-	-	-
Giardia intestinalis	-	95.5-95.5	-	-	-
Homo sapiens	-	-	-	-	11.3-93.4
Mus musculus	-	-	-	-	36.74-68.3
Oryctolagus cuniculus	-	250-501.19	-	-	-
Rattus norvegicus	-	-	-	-	28-98.2
Sus scrofa	-	-	-	-	39
Trichomonas vaginalis	-	121.6-121.6	-	-	-

Target Conservation


Protein: Potassium-transporting ATPase Description: Potassium-transporting ATPase alpha chain 1 Organism : Homo sapiens P20648 ENSG00000105675











Protein: Potassium-transporting ATPase Description: Potassium-transporting ATPase subunit beta Organism : Homo sapiens P51164 ENSG00000186009

Cross References

Resources	Reference
ChEBI	77260
ChEMBL	CHEMBL1503
DrugBank	DB00338
DrugCentral	1990
FDA SRS	KG60484QX9
Human Metabolome Database	HMDB0001913
Guide to Pharmacology	4279
KEGG	C07324
PharmGKB	PA450704
PubChem	4594
SureChEMBL	SCHEMBL1191

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

OMEPRAZOLE

Structure

Physicochemical Descriptors

Pharmacology

Target Conservation

Related Entries

Cross References