EcoDrugPlus


Molecule Category	Salt-form
UNII	L493Z502W3
Source	Gaulton A, Kale N, van Westen GJ, Bellis LJ, Bento AP, Davies M, Hersey A, Papadatos G, Forster M, Wege P, Overington JP. A large-scale crop protection bioassay data set. Sci Data. 2015 Jul 7;2:150032. Read more ...

Molecule Category

Salt-form

UNII

Source

Gaulton A, Kale N, van Westen GJ, Bellis LJ, Bento AP, Davies M, Hersey A, Papadatos G, Forster M, Wege P, Overington JP. A large-scale crop protection bioassay data set. Sci Data. 2015 Jul 7;2:150032. Read more ...


InChI Key	RXMRGBVLCSYIBO-UHFFFAOYSA-M
Smiles	[I-].C[N+](C)(C)C
InChI	InChI=1S/C4H12N.HI/c1-5(2,3)4;/h1-4H3;1H/q+1;/p-1

InChI Key

RXMRGBVLCSYIBO-UHFFFAOYSA-M

Smiles

[I-].C[N+](C)(C)C

InChI

InChI=1S/C4H12N.HI/c1-5(2,3)4;/h1-4H3;1H/q+1;/p-1

Property Name	Value
Molecular Formula	C4H12IN
Molecular Weight	201.05
AlogP	-1.04
Heavy Atoms	5.0

Property Name

Value

Molecular Formula

C4H12IN

Molecular Weight

201.05

AlogP

-1.04

Heavy Atoms

5.0

Targets	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Ion channel Ligand-gated ion channel Nicotinic acetylcholine receptor Nicotinic acetylcholine receptor alpha subunit	-	197000	-	-	-

Targets

EC50(nM)

IC50(nM)

Kd(nM)

Ki(nM)

Inhibition(%)

Ion channel Ligand-gated ion channel Nicotinic acetylcholine receptor Nicotinic acetylcholine receptor alpha subunit

197000

	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Apis mellifera	-	542000	-	-	-
Torpedo nobiliana	-	197000	-	-	-

EC50(nM)

IC50(nM)

Kd(nM)

Ki(nM)

Inhibition(%)

Apis mellifera

542000

Torpedo nobiliana

197000

Resources	Reference
ChEMBL	CHEMBL2288325
FDA SRS	L493Z502W3
PubChem	6381
SureChEMBL	SCHEMBL108581

Resources

Reference

ChEMBL

FDA SRS

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

TRETRAMETHYLAMMONIUM IODIDE

Structure

Physicochemical Descriptors

Pharmacology

Cross References