EcoDrugPlus


Synonyms	Caltheon Tetrahydrozoline Tetryzoline Tyzine
Status
Molecule Category	Free-form
UNII	P7M4KML3S8
EPA CompTox	DTXSID1047861

Synonyms

Caltheon

Tetrahydrozoline

Tetryzoline

Tyzine

Status

Molecule Category

Free-form

UNII

P7M4KML3S8

EPA CompTox

DTXSID1047861


InChI Key	BYJAVTDNIXVSPW-UHFFFAOYSA-N
Smiles	c1ccc2c(c1)CCCC2C1=NCCN1
InChI	InChI=1S/C13H16N2/c1-2-6-11-10(4-1)5-3-7-12(11)13-14-8-9-15-13/h1-2,4,6,12H,3,5,7-9H2,(H,14,15)

InChI Key

BYJAVTDNIXVSPW-UHFFFAOYSA-N

Smiles

c1ccc2c(c1)CCCC2C1=NCCN1

InChI

InChI=1S/C13H16N2/c1-2-6-11-10(4-1)5-3-7-12(11)13-14-8-9-15-13/h1-2,4,6,12H,3,5,7-9H2,(H,14,15)

Property Name	Value
Molecular Formula	C13H16N2
Molecular Weight	200.28
AlogP	2.11
Hydrogen Bond Acceptor	2.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	1.0
Polar Surface Area	24.39
Molecular species	BASE
Aromatic Rings	1.0
Heavy Atoms	15.0

Property Name

Value

Molecular Formula

C13H16N2

Molecular Weight

200.28

AlogP

2.11

Hydrogen Bond Acceptor

2.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

1.0

Polar Surface Area

24.39

Molecular species

BASE

Aromatic Rings

1.0

Heavy Atoms

15.0

Targets	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Adrenergic receptor	-	30	-	11	-

Targets

EC50(nM)

IC50(nM)

Kd(nM)

Ki(nM)

Inhibition(%)

Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Adrenergic receptor

	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Rattus norvegicus	-	-	-	11	-

EC50(nM)

IC50(nM)

Kd(nM)

Ki(nM)

Inhibition(%)

Rattus norvegicus

Resources	Reference
ChEBI	28674
ChEMBL	CHEMBL1266
DrugBank	DB06764
DrugCentral	3591
FDA SRS	P7M4KML3S8
KEGG	C07912
PubChem	5419
SureChEMBL	SCHEMBL34760

Resources

Reference

ChEBI

ChEMBL

DrugBank

DrugCentral

FDA SRS

KEGG

PubChem

SureChEMBL

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

TETRAHYDROZOLINE

Structure

Physicochemical Descriptors

Pharmacology

Cross References