Compound Detail
CHEMBL2074704
TETRAPENTYLAMMONIUM 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
Basic Information
| ChEMBL ID | CHEMBL2074704 |
| Name | TETRAPENTYLAMMONIUM |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GJSGYPDDPQRWPK-UHFFFAOYSA-N |
4
Targets
6
Activities
2
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
298.6
MW (Da)
6.56
ALogP
0
HBA
0
HBD
0.0
PSA (Ų)
0.22
QED
1
Ro5 Violations
16
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.75
Ki 3 meas. best 6.37
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Solute carrier family 22 member 1 CHEMBL2073670 | IC50 | 6.75 | 6.32 | 180.0 | 2 |
| Solute carrier family 22 member 1 CHEMBL2073670 | Ki | 6.37 | 6.37 | 430.0 | 1 |
| Solute carrier family 22 member 2 CHEMBL1743122 | Ki | 5.82 | 5.82 | 1500.0 | 1 |
| Solute carrier family 22 member 2 CHEMBL1770032 | IC50 | 5.77 | 5.77 | 1700.0 | 1 |
| Solute carrier family 22 member 1 CHEMBL5685 | Ki | 5.13 | 5.13 | 7460.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Solute carrier family 22 member 1 | IC50 | = | 180.0 | nM | 6.75 | TP_TRANSPORTER: inhibition of MPP+ uptake (MPP+: 0.1 uM) in OCT1-expressing HEK2... | 10570053 |
| Solute carrier family 22 member 1 | Ki | = | 430.0 | nM | 6.37 | TP_TRANSPORTER: inhibition of TEA uptake in Xenopus laevis oocytes | 7990927 |
| Solute carrier family 22 member 1 | IC50 | = | 1300.0 | nM | 5.89 | TP_TRANSPORTER: inhibition of TEA uptake (TEA: 50 uM) in OCT1-expressing MDCK ce... | 11758759 |
| Solute carrier family 22 member 2 | Ki | = | 1500.0 | nM | 5.82 | TP_TRANSPORTER: inhibition of TEA uptake in Xenopus laevis oocytes | 9260930 |
| Solute carrier family 22 member 2 | IC50 | = | 1700.0 | nM | 5.77 | TP_TRANSPORTER: inhibition of TEA uptake (TEA: 50 uM) in OCT2-expressing MDCK ce... | 11758759 |
| Solute carrier family 22 member 1 | Ki | = | 7460.0 | nM | 5.13 | TP_TRANSPORTER: inhibition of TEA uptake in OCT1-expressing HeLa cells | 9655880 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10688634 | - | Solute carrier family 22 member 1 | 3 |
| 11553644 | 10.1074/jbc.m108472200 | Solute carrier family 22 member 2 | 1 |
| 12606755 | 10.1124/mol.63.3.489 | Solute carrier family 22 member 1 | 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 1 | 1 |
| 11758759 | 10.1023/a:1013070128668 | Solute carrier family 22 member 2 | 1 |
| 7990927 | 10.1038/372549a0 | Solute carrier family 22 member 1 | 1 |
| 9260930 | 10.1089/dna.1997.16.871 | Solute carrier family 22 member 2 | 1 |
| 9655880 | - | Solute carrier family 22 member 1 | 1 |
Data from ChEMBL 36 via Core Engine