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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL363295
CHEMBL363295
Compound Name TERODILINE
ChEMBL Synonyms TERODILINE HYDROCHLORIDE | TERODILINE
Max Phase 4 (Approved)
Withdrawn Yes
Trade Names
Molecular Formula C20H27N

Additional synonyms for CHEMBL363295 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC(CC(c1ccccc1)c2ccccc2)NC(C)(C)C
Standard InChI InChI=1S/C20H27N/c1-16(21-20(2,3)4)15-19(17-11-7-5-8-12-17)1 ...
Download InChI
Standard InChI Key UISARWKNNNHPGI-UHFFFAOYSA-N

Sources

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  • Withdrawn Drugs

Alternate Forms of Compound in ChEMBL


CHEMBL363295

Molecule Features

CHEMBL363295 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:Y First In Class:N Chirality:Racemic Mixture Prodrug:N Oral:N Parenteral:N Topical:N Black Box:N Availability Type:Withdrawn

Withdrawal Information

Year 1991
Country Germany; Spain; United Kingdom
Reason Ventricular Tachycardia and Arrhythmia

Clinical Data

ClinicalTrials.gov TERODILINE
The Cochrane Collaboration TERODILINE

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 CHEMBL363295. 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
CHEMBL2808 LXR-alpha Homo sapiens 0.501
CHEMBL226 Adenosine A1 receptor Homo sapiens 0.306
CHEMBL268 Cathepsin K Homo sapiens 0.250

10uM


ChEMBL_ID Target Name Organism Score
CHEMBL2808 LXR-alpha Homo sapiens 0.480
CHEMBL268 Cathepsin K Homo sapiens 0.368
CHEMBL226 Adenosine A1 receptor Homo sapiens 0.212

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
281.4 281.2143 4.74 6 12.03 BASE


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 10.47 4.68 1.9 2 21 0.81

Structural Alerts

There are no structural alerts for CHEMBL363295

Compound Cross References

ATC G - GENITO URINARY SYSTEM AND SEX HORMONES
G04 - UROLOGICALS
G04B - UROLOGICALS
G04BD - Drugs for urinary frequency and incontinence
G04BD05 - terodiline

ChemSpider ChemSpider:UISARWKNNNHPGI-UHFFFAOYSA-N
Wikipedia Terodiline

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL363295



ACToR 15793-40-5
BindingDB 50151868
ChEBI 135168
DrugCentral 2603
IBM Patent System 97719430FEC520DA2D79FFD38CBE78D7
Nikkaji J9.014J
PharmGKB PA165817950
PubChem 23480
PubChem: Thomson Pharma 14824506
SureChEMBL SCHEMBL78908

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