EcoDrugPlus


Synonyms	TU-199 TU199 Tenatoprazole
Status
Molecule Category	Free-form
UNII	RE0689TX2K
EPA CompTox	DTXSID1046687


InChI Key	ZBFDAUIVDSSISP-UHFFFAOYSA-N
Smiles	COc1ccc2[nH]c([S+]([O-])Cc3ncc(C)c(OC)c3C)nc2n1
InChI	InChI=1S/C16H18N4O3S/c1-9-7-17-12(10(2)14(9)23-4)8-24(21)16-18-11-5-6-13(22-3)19-15(11)20-16/h5-7H,8H2,1-4H3,(H,18,19,20)

Property Name	Value
Molecular Formula	C16H18N4O3S
Molecular Weight	346.41
AlogP	2.29
Hydrogen Bond Acceptor	6.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	5.0
Polar Surface Area	89.99
Molecular species	NEUTRAL
Aromatic Rings	3.0
Heavy Atoms	24.0

Targets	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Enzyme	-	-	-	-	35

	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Giardia intestinalis	-	19-59	-	-	-
Homo sapiens	-	-	-	-	35

Resources	Reference
ChEBI	94379
ChEMBL	CHEMBL1475252
FDA SRS	RE0689TX2K
PubChem	636411
SureChEMBL	SCHEMBL323288

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

TENATOPRAZOLE

Structure

Physicochemical Descriptors

Pharmacology

Related Entries

Cross References