Compound Detail
CHEMBL1233636
INDOXYL SULFATE Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL1233636 |
| Name | INDOXYL SULFATE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BXFFHSIDQOFMLE-UHFFFAOYSA-N |
2
Targets
8
Activities
3
Assay Types
0
PK Parameters
19
Publications
0
Known Names
Molecular Properties
213.2
MW (Da)
1.35
ALogP
3
HBA
2
HBD
79.4
PSA (Ų)
0.74
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 6 meas. best 4.64
IC50 1 meas. best 4.08
Kd 1 meas. best 4.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Solute carrier family 22 member 6 CHEMBL1641347 | Ki | 4.64 | 4.64 | 22700.0 | 2 |
| Albumin CHEMBL3728 | Kd | 4.52 | 4.52 | 30000.0 | 1 |
| Solute carrier family 22 member 6 CHEMBL1641347 | IC50 | 4.08 | 4.08 | 83000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Solute carrier family 22 member 6 | Ki | = | 23000.0 | nM | 4.64 | TP_TRANSPORTER: uptake&inhibition of PAH in OAT1-S2 cells | 12679137 |
| Solute carrier family 22 member 6 | Ki | = | 22700.0 | nM | 4.64 | TP_TRANSPORTER: inhibition of PAH uptake (PAH: 5 uM, indoxyl sulfate:500 uM) in ... | 12679137 |
| Albumin | Kd | = | 30000.0 | nM | 4.52 | Binding affinity to BSA assessed as binding constant at 1H-2 resonance by (1)H r... | 27933946 |
| Solute carrier family 22 member 6 | IC50 | = | 83000.0 | nM | 4.08 | TP_TRANSPORTER: inhibition of PAH uptake in OAT-expressing OK cells | 11815391 |
Literature References
Data from ChEMBL 36 via Core Engine