tetraethylammonium   Click here for help

GtoPdb Ligand ID: 2343

Abbreviated name: TEA
PDB Ligand
Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 0
Hydrogen bond donors 0
Rotatable bonds 4
Topological polar surface area 0
Molecular weight 130.16
XLogP 1.56
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES CC[N+](CC)(CC)CC
Isomeric SMILES CC[N+](CC)(CC)CC
InChI InChI=1S/C8H20N/c1-5-9(6-2,7-3)8-4/h5-8H2,1-4H3/q+1
InChI Key CBXCPBUEXACCNR-UHFFFAOYSA-N
Transporters Moving this Compound Across a Lipid Membrane
Transporter EC number Reaction Reference
Organic cation/carnitine transporter 1
Organic cation transporter 1
Organic cation transporter 3
Organic cation/carnitine transporter 2
Plasma membrane monoamine transporter 4,23
Organic cation transporter 2 5
Selectivity at ion channels
Key to terms and symbols Click column headers to sort
Target Sp. Type Action Value Parameter Concentration range (M) Reference
KNa1.2 Hs Channel blocker Inhibition - - 7x10-2 - 1.5x10-1 18
Conc range: 7x10-2 - 1.5x10-1 M [18]
KNa1.2 Rn Channel blocker Inhibition - - 1x10-3 - 2x10-2 18
Conc range: 1x10-3 - 2x10-2 M [18]
TRPV2 Mm Channel blocker Inhibition - - 1x10-2 11
Conc range: 1x10-2 M [11]
Kv1.7 Hs Channel blocker - 4.1 pKd - 2
pKd 4.1 [2]
Kv1.1 Mm Channel blocker Inhibition 3.5 pKd - 6
pKd 3.5 (Kd 3x10-4 M) [6]
Kv1.3 Mm Channel blocker - 2.0 pKd - 6
pKd 2.0 (Kd 1x10-2 M) [6]
Kir2.3 Hs Channel blocker Antagonist 4.2 pKi - 16
pKi 4.2 [16]
Voltage: 0.0 mV
Kv3.2 Rn Channel blocker - 4.2 pIC50 - 15
pIC50 4.2 (IC50 6.3x10-5 M) [15]
Kv3.3 Rn Channel blocker - 3.9 pIC50 - 22
pIC50 3.9 (IC50 1.4x10-4 M) [22]
Kv3.1 Mm Channel blocker - 3.7 pIC50 - 6
pIC50 3.7 (IC50 2x10-4 M) [6]
Kv7.2 Hs Channel blocker - 3.5 – 3.9 pIC50 - 8,25
pIC50 3.5 – 3.9 (IC50 3x10-4 – 1.3x10-4 M) [8,25]
Kv3.4 Rn Channel blocker - 3.5 pIC50 - 17,21
pIC50 3.5 (IC50 3x10-4 M) [17,21]
KCa2.1 Hs Channel blocker - 2.7 pIC50 - 24
pIC50 2.7 [24]
KCa2.2 Hs Channel blocker - 2.7 pIC50 - 24
pIC50 2.7 [24]
KCa2.3 Hs Channel blocker - 2.7 pIC50 - 24
pIC50 2.7 [24]
Kv2.2 Hs Channel blocker - 2.6 pIC50 - 19
pIC50 2.6 (IC50 2.6x10-3 M) [19]
Kv1.6 Hs Channel blocker - 2.2 pIC50 - 7
pIC50 2.2 (IC50 7x10-3 M) [7]
Kv2.1 Rn Channel blocker Pore blocker 2.0 pIC50 - 9
pIC50 2.0 (IC50 1x10-2 M) [9]
Kv4.1 Hs Channel blocker - 2.0 pIC50 - 10
pIC50 2.0 [10]
KNa1.1 Rn Channel blocker Antagonist 1.7 – 2.0 pIC50 - 3
pIC50 1.7 – 2.0 [3]
Kv7.3 Hs Channel blocker - 1.5 pIC50 - 8
pIC50 1.5 [8]
Kv1.8 Hs Channel blocker - 1.3 pIC50 - 13
pIC50 1.3 [13]
Kv7.4 Hs Channel blocker - 1.3 pIC50 - 1
pIC50 1.3 (IC50 5.2x10-2 M) [1]
Kv7.5 Hs Channel blocker - 1.1 – 1.5 pIC50 - 14,20
pIC50 1.1 – 1.5 [14,20]
Kv1.7 Mm Channel blocker - 1.1 pIC50 - 12
pIC50 1.1 [12]
KCa1.1 Hs Channel blocker - - - -
Ligand mentioned in the following text fields