TRETRAMETHYLAMMONIUM IODIDE


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 ...


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

Structure


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

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C4H12IN
Molecular Weight	201.05
AlogP	-1.04
Hydrogen Bond Acceptor	0.0
Hydrogen Bond Donor	0.0
Number of Rotational Bond	0.0
Polar Surface Area	0.0
Molecular species	None
Aromatic Rings	0.0
Heavy Atoms	5.0

Assay Description	Organism	Bioactivity
Increase in [3H]PCP binding to nAChR in Torpedo nobiliana electric organs in presence of carbachol	Torpedo nobiliana	None
Increase in [3H]PCP binding to nAChR in Torpedo nobiliana electric organs	Torpedo nobiliana	None
Displacement of [3H]alpha-BGT from nAChR in Apis mellifera (honeybee) head	Apis mellifera	542000.0 nM
Displacement of [3H]alpha-BGT from nAChR in Torpedo nobiliana electric organs	Torpedo nobiliana	197000.0 nM

Cross References

Resources	Reference
ChEMBL	CHEMBL2288325
FDA SRS	L493Z502W3
PubChem	6381
SureChEMBL	SCHEMBL108581

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).