ILAPRAZOLE


Synonyms	Ilaprazole Noltec
Status
Molecule Category	UNKNOWN
UNII	776Q6XX45J


Active Pharmaceutical Ingredients Bioactive chemicals	Exact Similarity SubStructure	Threshold (%) >= 70

Structure


InChI Key	HRRXCXABAPSOCP-UHFFFAOYSA-N
Smiles	COc1ccnc(C[S+]([O-])c2nc3cc(-n4cccc4)ccc3[nH]2)c1C
InChI	InChI=1S/C19H18N4O2S/c1-13-17(20-8-7-18(13)25-2)12-26(24)19-21-15-6-5-14(11-16(15)22-19)23-9-3-4-10-23/h3-11H,12H2,1-2H3,(H,21,22)

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C19H18N4O2S
Molecular Weight	366.45
AlogP	3.37
Hydrogen Bond Acceptor	5.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	5.0
Polar Surface Area	72.8
Molecular species	NEUTRAL
Aromatic Rings	4.0
Heavy Atoms	26.0

Bioactivity

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


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

Related Entries

Cross References

Resources	Reference
ChEBI	135544
ChEMBL	CHEMBL2106370
DrugBank	DB11964
DrugCentral	3961
FDA SRS	776Q6XX45J
Guide to Pharmacology	10512
PharmGKB	PA165947499
PubChem	214351
SureChEMBL	SCHEMBL1179039

CONTENTS


PREMIER has received funding from the 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 this manuscript contains. Elements of the website have been developed under projects PREMIER and the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT is thanked for providing computational resources. Content of the website is provided without guarantee for correctness. Data has been collected and integrated from multiple public sources, for the largest: FDA, HUGO Gene Nomenclature Committee, ChEMBL, IUPHAR/BPS guide to pharmacology, Reactome, UniProt, and Ensembl. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

PREMIER has received funding from the 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 this manuscript contains.

Elements of the website have been developed under projects PREMIER and the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT is thanked for providing computational resources. Content of the website is provided without guarantee for correctness. Data has been collected and integrated from multiple public sources, for the largest: FDA, HUGO Gene Nomenclature Committee, ChEMBL, IUPHAR/BPS guide to pharmacology, Reactome, UniProt, and Ensembl. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).