Molecule

Tetramethylammonium(1+); Tribromide

AlkaPlorer ID: AK315616

Synonym: None

IUPAC Name: tetramethylazanium

SMILES: C[N+](C)(C)C

InChI: InChI=1S/C4H12N/c1-5(2,3)4/h1-4H3/q+1

InChIKey: QEMXHQIAXOOASZ-UHFFFAOYSA-N

PubChem CID: 58527167

CAS: 51-92-3

SuperNatural Ⅲ: SN0303226

NPASS: NPC35268

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Parapristipoma trilineatum	Parapristipoma	Haemulidae	Lutjaniformes	Actinopteri	Chordata	Metazoa	Eukaryota
Calceolaria andina	Calceolaria	Calceolariaceae	Lamiales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Asarum europaeum	Asarum	Asaraceae	Piperales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota

Molecule Weight: 74.14699999999999

TPSA？: 0.0

MolLogP？: 0.3224

Number of H-Donors: 0

Number of H-Acceptors: 0

RingCount: 0

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi
Homo sapiens	Neuronal acetylcholine receptor; alpha4/beta2	Ki	24.0	nM	10.1021/jm990093z
Homo sapiens	Neuronal acetylcholine receptor protein alpha-7 subunit	Ki	2300.0	nM	10.1021/jm990093z
Severe acute respiratory syndrome coronavirus 2	Replicase polyprotein 1ab	Inhibition	17.65	%	10.6019/CHEMBL4495564
Severe acute respiratory syndrome coronavirus 2	SARS-CoV-2	Inhibition	-0.06	%	10.6019/CHEMBL4495565
None	ADMET	Binding energy	3.6	kCal mol-1	10.1021/jm00378a021

AKRT ID	Reaction	Reaction Link ID
AKRT000709	N[C@@H](Cc1c[nH]c[n+]1[Co-4]123N4C5=C(C)C6=[N+]1C(=CC1=[N+]2C(=C(C)C2=[N+]3[C@@](C)([C@H]4[C@H](CC(N)=O)[C@@]5(C)CCC(=O)NC[C@@H](C)O)[C@@](C)(CC(N)=O)[C@@H]2CCC(N)=O)[C@@](C)(CC(N)=O)[C@@H]1CCC(N)=O)C(C)(C)[C@@H]6CCC(N)=O)C()=O.C[N+](C)(C)C>>N[C@@H](Cc1c[nH]c[n+]1[Co-3]123(C)N4C5=C(C)C6=[N+]1C(=CC1=[N+]2C(=C(C)C2=[N+]3[C@@](C)([C@H]4[C@H](CC(N)=O)[C@@]5(C)CCC(=O)NC[C@@H](C)O)[C@@](C)(CC(N)=O)[C@@H]2CCC(N)=O)[C@@](C)(CC(N)=O)[C@@H]1CCC(N)=O)C(C)(C)[C@@H]6CCC(N)=O)C()=O	RXN-8132
AKRT014262	C[N+](C)(C)C>>CN(C)C	RXN-8132