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Compound Detail

CHEMBL2074837

TETRAHEXYLAMMONIUM
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CCCCCC[N+](CCCCCC)(CCCCCC)CCCCCC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2074837
Name TETRAHEXYLAMMONIUM
Phase Preclinical
Structure Type MOL
InChI Key DTIFFPXSSXFQCJ-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

354.7
MW (Da)
8.12
ALogP
0
HBA
0
HBD
0.0
PSA (Ų)
0.15
QED
1
Ro5 Violations
20
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H52N+
MW 354.69
Aromatic Rings 0
Heavy Atoms 25
NP-Likeness 0.19

Activity Summary

IC50 1 meas. best 5.52

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Solute carrier family 22 member 1
CHEMBL5685
 IC50 5.52 5.52 3000.0 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 OCT1-expressing HeLa ce... 10027858

Literature References

PubMed DOI Target Context # Activities
10454528 - Organic cation/carnitine transporter 2 1
10027858 - Solute carrier family 22 member 1 1

Data from ChEMBL 36 via Core Engine