EcoDrugPlus


Synonyms	NSC-443 Syprine Trethylenetetramine Trientine Triethylene tetraamine Triethylene tetramine
Status
Molecule Category	Free-form
ATC	A16AX12
UNII	SJ76Y07H5F
EPA CompTox	DTXSID9023702

Synonyms

NSC-443

Syprine

Trethylenetetramine

Trientine

Triethylene tetraamine

Triethylene tetramine

Status

Molecule Category

Free-form

ATC

A16AX12

UNII

SJ76Y07H5F

EPA CompTox

DTXSID9023702


InChI Key	VILCJCGEZXAXTO-UHFFFAOYSA-N
Smiles	NCCNCCNCCN
InChI	InChI=1S/C6H18N4/c7-1-3-9-5-6-10-4-2-8/h9-10H,1-8H2

InChI Key

VILCJCGEZXAXTO-UHFFFAOYSA-N

Smiles

NCCNCCNCCN

InChI

InChI=1S/C6H18N4/c7-1-3-9-5-6-10-4-2-8/h9-10H,1-8H2

Property Name	Value
Molecular Formula	C6H18N4
Molecular Weight	146.24
AlogP	-1.92
Hydrogen Bond Acceptor	4.0
Hydrogen Bond Donor	4.0
Number of Rotational Bond	7.0
Polar Surface Area	76.1
Molecular species	BASE
Aromatic Rings	0.0
Heavy Atoms	10.0

Property Name

Value

Molecular Formula

C6H18N4

Molecular Weight

146.24

AlogP

-1.92

Hydrogen Bond Acceptor

4.0

Hydrogen Bond Donor

4.0

Number of Rotational Bond

7.0

Polar Surface Area

76.1

Molecular species

BASE

Aromatic Rings

0.0

Heavy Atoms

10.0

	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Homo sapiens	-	-	-	-	0

EC50(nM)

IC50(nM)

Kd(nM)

Ki(nM)

Inhibition(%)

Homo sapiens

Resources	Reference
CAS NUMBER	112-24-3
ChEBI	39501
ChEMBL	CHEMBL609
DrugBank	DB06824
DrugCentral	2738
FDA SRS	SJ76Y07H5F
KEGG	C07166
PDB	104
PubChem	5565
SureChEMBL	SCHEMBL15439
ZINC	ZINC000019364225

Resources

Reference

CAS NUMBER

ChEBI

ChEMBL

DrugBank

DrugCentral

FDA SRS

KEGG

PDB

PubChem

SureChEMBL

ZINC

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

TRIENTINE

Structure

Physicochemical Descriptors

Pharmacology

Cross References