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Compound Detail

CHEMBL2074857

TETRAPROPYLAMMONIUM
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CCC[N+](CCC)(CCC)CCC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2074857
Name TETRAPROPYLAMMONIUM
Phase Preclinical
Structure Type MOL
InChI Key OSBSFAARYOCBHB-UHFFFAOYSA-N
4
Targets
9
Activities
2
Assay Types
0
PK Parameters
8
Publications
0
Known Names

Molecular Properties

186.4
MW (Da)
3.44
ALogP
0
HBA
0
HBD
0.0
PSA (Ų)
0.51
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H28N+
MW 186.36
Aromatic Rings 0
Heavy Atoms 13
NP-Likeness 0.16

Activity Summary

IC50 6 meas. best 5.21
Ki 3 meas. best 4.7

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Solute carrier family 22 member 2
CHEMBL1770032
 IC50 5.21 4.81 6200.0 2
Solute carrier family 22 member 1
CHEMBL2073670
 IC50 4.95 4.795 11300.0 2
Solute carrier family 22 member 1
CHEMBL2073664
 Ki 4.7 4.7 19800.0 1
Solute carrier family 22 member 1
CHEMBL2073670
 Ki 4.68 4.68 21000.0 1
Solute carrier family 22 member 1
CHEMBL5685
 IC50 4.05 4.05 90000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Solute carrier family 22 member 2 IC50 = 6200.0 nM 5.21 TP_TRANSPORTER: inhibition of TEA uptake (TEA: 10 uM) in Xenopus laevis oocytes 11502595
Solute carrier family 22 member 1 IC50 = 11300.0 nM 4.95 TP_TRANSPORTER: inhibition of TEA uptake (TEA: 10 uM) in Xenopus laevis oocytes 11502595
Solute carrier family 22 member 1 Ki = 19800.0 nM 4.7 TP_TRANSPORTER: inhibition of MPP+ uptake in Xenopus laevis oocytes 10688634
Solute carrier family 22 member 1 Ki = 21000.0 nM 4.68 TP_TRANSPORTER: inhibition of MPP+ uptake in Xenopus laevis oocytes 10688634
Solute carrier family 22 member 1 IC50 = 23000.0 nM 4.64 TP_TRANSPORTER: inhibition of TEA uptake (TEA: 50 uM) in OCT1-expressing MDCK ce... 11758759
Solute carrier family 22 member 2 IC50 = 39000.0 nM 4.41 TP_TRANSPORTER: inhibition of TEA uptake (TEA: 50 uM) in OCT2-expressing MDCK ce... 11758759
Solute carrier family 22 member 1 IC50 = 90000.0 nM 4.05 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
12606755 10.1124/mol.63.3.489 Solute carrier family 22 member 1 1
11502595 10.1152/ajprenal.2001.281.3.f454 Solute carrier family 22 member 1 1
12240953 10.1023/a:1019870831174 Solute carrier family 22 member 2 1
11758759 10.1023/a:1013070128668 Solute carrier family 22 member 1 1
11758759 10.1023/a:1013070128668 Solute carrier family 22 member 2 1
11502595 10.1152/ajprenal.2001.281.3.f454 Solute carrier family 22 member 2 1
10027858 - Solute carrier family 22 member 1 1

Data from ChEMBL 36 via Core Engine