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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2104535
CHEMBL2104535
Compound Name CHOLESTYRAMINE RESIN
ChEMBL Synonyms CHOLYBAR | CHOLESTYRAMINE RESIN | COLESTYRAMINE | QUESTRAN LIGHT | QUESTRAN | DUOLITE AP143 RESIN
Max Phase 4 (Approved)
Trade Names CHOLYBAR | DUOLITE AP143 RESIN | QUESTRAN | QUESTRAN LIGHT
Molecular Formula C21H30ClN

Additional synonyms for CHEMBL2104535 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES [Cl-].CCc1ccc(cc1)C(C)CCc2ccc(cc2)[N+](C)(C)C
Standard InChI InChI=1S/C21H30N.ClH/c1-6-18-9-13-20(14-10-18)17(2)7-8-19-11 ...
Download InChI
Standard InChI Key KNDHRUPPBXRELB-UHFFFAOYSA-M

Sources

  • British National Formulary
  • Scientific Literature
  • USP Dictionary of USAN and International Drug Names
  • WHO Anatomical Therapeutic Chemical Classification

Alternate Forms of Compound in ChEMBL


CHEMBL2104535

Molecule Features

CHEMBL2104535 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:N First In Class:N Chirality:Racemic Mixture Prodrug:N Oral:N Parenteral:N Topical:N Black Box:N Availability Type:Unknown

Mechanism of Action

Mechanism of Action ChEMBL Target References
Bile acids sequestering agent Bile acids PubMed PubMed PubMed PubMed PubMed

Clinical Data

ClinicalTrials.gov CHOLESTYRAMINE RESIN
The Cochrane Collaboration CHOLESTYRAMINE RESIN

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Target Predictions

The two tables below display ChEMBL single-protein targets which are predicted to interact with CHEMBL2104535. A 1uM and 10 uM cut-off have been applied to ChEMBL bioactivity data used to generate the respective models and the yellow coloured rows correspond to genuine predictions, i.e. targets not included in the original training set for this compound.


1uM


ChEMBL_ID Target Name Organism Score
CHEMBL257 Angiotensin II type 2 (AT-2) receptor Rattus norvegicus 0.873
CHEMBL5414 Beta-2 adrenergic receptor Cavia porcellus 0.759
CHEMBL4921 Urotensin II receptor Rattus norvegicus 0.606
CHEMBL1907 Aminopeptidase N Homo sapiens 0.579
CHEMBL5786 Leukotriene A-4 hydrolase Cavia porcellus 0.530
CHEMBL2035 Muscarinic acetylcholine receptor M5 Homo sapiens 0.406
CHEMBL1808 Angiotensin-converting enzyme Homo sapiens 0.382
CHEMBL4306 Voltage-gated potassium channel subunit Kv1.5 Homo sapiens 0.243
CHEMBL210 Beta-2 adrenergic receptor Homo sapiens 0.214



10uM


ChEMBL_ID Target Name Organism Score
CHEMBL3399 Sodium channel protein type II alpha subunit Rattus norvegicus 0.963
CHEMBL3156 Thromboxane A2 receptor Rattus norvegicus 0.685
CHEMBL276 Muscarinic acetylcholine receptor M1 Rattus norvegicus 0.666
CHEMBL5414 Beta-2 adrenergic receptor Cavia porcellus 0.649
CHEMBL3762 Voltage-gated L-type calcium channel alpha-1C subunit Rattus norvegicus 0.634
CHEMBL5786 Leukotriene A-4 hydrolase Cavia porcellus 0.611
CHEMBL3190 Glutamate receptor ionotropic, AMPA 4 Homo sapiens 0.384
CHEMBL257 Angiotensin II type 2 (AT-2) receptor Rattus norvegicus 0.380
CHEMBL289 Cytochrome P450 2D6 Homo sapiens 0.321
CHEMBL1808 Angiotensin-converting enzyme Homo sapiens 0.307
CHEMBL4921 Urotensin II receptor Rattus norvegicus 0.306
CHEMBL235 Peroxisome proliferator-activated receptor gamma Homo sapiens 0.206

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
296.5 296.2373 5.18 6 0 -


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
0 0 1 1 0 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - 2.71 2.71 2 22 0.64

Structural Alerts

There are 1 structural alerts for CHEMBL2104535. To view alerts please click here.

Compound Cross References

ATC C - CARDIOVASCULAR SYSTEM
C10 - LIPID MODIFYING AGENTS
C10A - LIPID MODIFYING AGENTS, PLAIN
C10AC - Bile acid sequestrants
C10AC01 - colestyramine

ChemSpider ChemSpider:KNDHRUPPBXRELB-UHFFFAOYSA-M

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2104535



PubChem 70695640

UniChem REST Service Call:
https://www.ebi.ac.uk/unichem/rest/verbose_inchikey/KNDHRUPPBXRELB-UHFFFAOYSA-M spacer
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