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Compound Detail

CHEMBL1236196

TETRABUTHYLAMMONIUM
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CCCC[N+](CCCC)(CCCC)CCCC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1236196
Name TETRABUTHYLAMMONIUM
Phase Preclinical
Structure Type MOL
InChI Key DZLFLBLQUQXARW-UHFFFAOYSA-N
5
Targets
10
Activities
2
Assay Types
0
PK Parameters
10
Publications
0
Known Names

Molecular Properties

242.5
MW (Da)
5.00
ALogP
0
HBA
0
HBD
0.0
PSA (Ų)
0.42
QED
1
Ro5 Violations
12
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C16H36N+
MW 242.47
Aromatic Rings 0
Heavy Atoms 17
NP-Likeness 0.12

Activity Summary

IC50 6 meas. best 5.52
Ki 4 meas. best 5.14

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Solute carrier family 22 member 1
CHEMBL2073670
 IC50 5.52 5.31 3000.0 2
Plasmodium falciparum
CHEMBL364
 IC50 5.3 5.3 5000.0 1
Solute carrier family 22 member 2
CHEMBL1770032
 IC50 5.24 5.24 5700.0 1
Solute carrier family 22 member 1
CHEMBL2073664
 Ki 5.14 5.14 7300.0 1
Solute carrier family 22 member 2
CHEMBL1770032
 Ki 4.92 4.92 12000.0 1
Solute carrier family 22 member 1
CHEMBL2073670
 Ki 4.77 4.77 17000.0 1
Solute carrier family 22 member 1
CHEMBL5685
 Ki 4.53 4.53 29600.0 1
Solute carrier family 22 member 1
CHEMBL5685
 IC50 4.28 4.28 52000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Solute carrier family 22 member 1 IC50 = 3000.0 nM 5.52 TP_TRANSPORTER: inhibition of TEA uptake (TEA: 10 uM) in Xenopus laevis oocytes 10570053
Plasmodium falciparum IC50 = 5000.0 nM 5.3 Antimalarial activity against Plasmodium falciparum infected in erythrocytes in ... 32206243
Solute carrier family 22 member 2 IC50 = 5700.0 nM 5.24 TP_TRANSPORTER: inhibition of TEA uptake (TEA: 50 uM) in OCT2-expressing MDCK ce... 11758759
Solute carrier family 22 member 1 Ki = 7300.0 nM 5.14 TP_TRANSPORTER: inhibition of MPP+ uptake in Xenopus laevis oocytes 10688634
Solute carrier family 22 member 1 IC50 = 7900.0 nM 5.1 TP_TRANSPORTER: inhibition of TEA uptake (TEA: 50 uM) in OCT1-expressing MDCK ce... 11758759
Solute carrier family 22 member 2 Ki = 12000.0 nM 4.92 TP_TRANSPORTER: inhibition of TEA uptake (electrogenicity) in Xenopus laevis ooc... 11502595
Solute carrier family 22 member 1 Ki = 17000.0 nM 4.77 TP_TRANSPORTER: inhibition of MPP+ uptake in Xenopus laevis oocytes 10688634
Solute carrier family 22 member 1 Ki = 29600.0 nM 4.53 TP_TRANSPORTER: inhibition of MPP+ uptake in Xenopus laevis oocytes 10688634
Solute carrier family 22 member 1 IC50 = 52000.0 nM 4.28 TP_TRANSPORTER: inhibition of TEA uptake (TEA: 10 uM) in OCT1-expressing HeLa ce... 10027858

Literature References

PubMed DOI Target Context # Activities
10688634 - Solute carrier family 22 member 1 3
11060354 - Solute carrier family 22 member 1 1
12606755 10.1124/mol.63.3.489 Solute carrier family 22 member 1 1
12240953 10.1023/a:1019870831174 Solute carrier family 22 member 2 1
10570053 10.1124/mol.56.6.1254 Solute carrier family 22 member 1 1
11758759 10.1023/a:1013070128668 Solute carrier family 22 member 2 1
10027858 - Solute carrier family 22 member 1 1
11758759 10.1023/a:1013070128668 Solute carrier family 22 member 1 1
11502595 10.1152/ajprenal.2001.281.3.f454 Solute carrier family 22 member 2 1
32206243 10.1039/C9MD00312F Plasmodium falciparum 1

Data from ChEMBL 36 via Core Engine