Compound Detail
CHEMBL9324
TETRYLAMMONIUM 🧪 Phase II
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
🧪 Phase II
Basic Information
| ChEMBL ID | CHEMBL9324 |
| Name | TETRYLAMMONIUM |
| Phase | Phase II |
| Structure Type | MOL |
| InChI Key | CBXCPBUEXACCNR-UHFFFAOYSA-N |
6
Targets
18
Activities
2
Assay Types
14
PK Parameters
20
Publications
5
Known Names
Molecular Properties
130.2
MW (Da)
1.88
ALogP
0
HBA
0
HBD
0.0
PSA (Ų)
0.51
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Achiral |
Activity Summary
Ki 10 meas. best 4.33
IC50 8 meas. best 6.27
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Solute carrier family 22 member 1 CHEMBL2073664 | IC50 | 6.27 | 6.27 | 540.0 | 1 |
| T-cell line CHEMBL614685 | IC50 | 6.0 | 6.0 | 1000.0 | 1 |
| Solute carrier family 22 member 2 CHEMBL2073662 | IC50 | 5.46 | 5.46 | 3500.0 | 1 |
| Potassium voltage-gated channel subfamily A member 1 CHEMBL2309 | IC50 | 4.52 | 4.52 | 30000.0 | 1 |
| Solute carrier family 22 member 1 CHEMBL2073670 | Ki | 4.33 | 4.165 | 46600.0 | 2 |
| Solute carrier family 22 member 2 CHEMBL1770032 | Ki | 4.28 | 4.28 | 52200.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 9840.0 | ng.hr.mL-1 | Mus musculus |
| AUC | 9100.0 | ng.hr.mL-1 | Mus musculus |
| AUC | 2840.0 | ng.hr.mL-1 | Mus musculus |
| AUC | 2410.0 | ng.hr.mL-1 | Mus musculus |
| CL | 0.19 | ml/min | Mus musculus |
| CL | 0.08 | ml/min | Mus musculus |
| CL | 16.9 | mL.min-1.kg-1 | Mus musculus |
| CL | 0.12 | ml/min | Mus musculus |
| CL | 0.09 | ml/min | Mus musculus |
| CL | 58.7 | mL.min-1.kg-1 | Mus musculus |
| Fu | 1.0 | - | Rattus norvegicus |
| T1/2 | 0.2 | hr | Mus musculus |
| T1/2 | 0.31 | hr | Mus musculus |
| Vd | 9.0 | L.kg-1 | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Solute carrier family 22 member 1 | IC50 | = | 540.0 | nM | 6.27 | TP_TRANSPORTER: inhibition of MPP+ uptake (MPP+: 1 uM) in Xenopus laevis oocytes | 12176030 |
| T-cell line | IC50 | = | 1000.0 | nM | 6.0 | In vitro inhibition of Rb efflux in human T-cells; 1-10 | - |
| Solute carrier family 22 member 2 | IC50 | = | 3500.0 | nM | 5.46 | TP_TRANSPORTER: inhibition of MPP+ uptake (MPP+: 1 uM) in Xenopus laevis oocytes | 12176030 |
| Potassium voltage-gated channel subfamily A member 1 | IC50 | = | 30000.0 | nM | 4.52 | Inhibition of Kv1.1 (unknown origin) | 28225274 |
| Solute carrier family 22 member 1 | Ki | = | 46600.0 | nM | 4.33 | TP_TRANSPORTER: inhibition of TEA uptake (basolateral to cell) in OCT1-expressin... | 9808712 |
| Solute carrier family 22 member 2 | Ki | = | 52200.0 | nM | 4.28 | TP_TRANSPORTER: inhibition of TEA uptake (apical to cell) in OCT2-expressing MDC... | 9808712 |
| Solute carrier family 22 member 1 | Ki | = | 100000.0 | nM | 4.0 | TP_TRANSPORTER: inhibition of MPP+ uptake in Xenopus laevis oocytes | 10688634 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22407892 | 10.1124/dmd.112.044875 | Mus musculus | 18 |
| 38150670 | 10.1021/acs.jmedchem.3c01245 | HEK293 | 5 |
| 21149540 | 10.1124/dmd.110.035998 | Brain | 5 |
| 10966924 | 10.1152/ajprenal.2000.279.3.f449 | Solute carrier family 22 member 3 | 4 |
| 10454528 | - | Organic cation/carnitine transporter 2 | 3 |
| 10688634 | - | Solute carrier family 22 member 1 | 3 |
| 9632645 | 10.1074/jbc.273.26.15971 | Solute carrier family 22 member 3 | 3 |
| 10825452 | 10.1016/s0005-2736(00)00189-9 | Solute carrier family 22 member 4 | 2 |
| 9808712 | - | Solute carrier family 22 member 1 | 2 |
| 10525100 | - | Organic cation/carnitine transporter 2 | 2 |
| 9655880 | - | Solute carrier family 22 member 1 | 2 |
| 10825466 | 10.1016/s0006-2952(00)00334-8 | Solute carrier family 22 member 1 | 2 |
| 22407892 | 10.1124/dmd.112.044875 | ADMET | 2 |
| 11463829 | 10.1128/mcb.21.16.5471-5477.2001 | Solute carrier family 22 member 1 | 2 |
| 9260930 | 10.1089/dna.1997.16.871 | Solute carrier family 22 member 2 | 2 |
| 12089365 | 10.1097/01.asn.0000019413.78751.46 | Solute carrier family 22 member 2 | 2 |
| 12176030 | 10.1016/s0006-291x(02)00926-9 | Solute carrier family 22 member 2 | 2 |
| 22396231 | 10.1124/dmd.111.042432 | Equilibrative nucleoside transporter 4 | 2 |
| 10600936 | 10.1152/ajprenal.1999.277.6.f890 | Solute carrier family 22 member 2 | 2 |
| 18788725 | 10.1021/jm8003152 | Solute carrier family 22 member 1 | 2 |
Data from ChEMBL 36 via Core Engine