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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL149082
CHEMBL149082
Compound Name TRAMIPROSATE
ChEMBL Synonyms NC-758 | TRAMIPROSATE
Max Phase 3
Trade Names
Molecular Formula C3H9NO3S

Additional synonyms for CHEMBL149082 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES NCCCS(=O)(=O)O
Standard InChI InChI=1S/C3H9NO3S/c4-2-1-3-8(5,6)7/h1-4H2,(H,5,6,7)
Standard InChI Key SNKZJIOFVMKAOJ-UHFFFAOYSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature
  • USP Dictionary of USAN and International Drug Names

Alternate Forms of Compound in ChEMBL


CHEMBL149082

Molecule Features

CHEMBL149082 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:Y First In Class:N Chirality:Achiral Molecule Prodrug:N Oral:Unclassified Parenteral:Unclassified Topical:Unclassified Black Box:Unclassified Availability Type:Unclassified

Clinical Data

ClinicalTrials.gov TRAMIPROSATE
The Cochrane Collaboration TRAMIPROSATE

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
139.2 139.0303 -1.18 3 88.76 ZWITTERION


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 2 0 4 3 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
1.07 10.19 -2.47 -4.97 0 8 0.48

Structural Alerts

There are 4 structural alerts for CHEMBL149082. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:SNKZJIOFVMKAOJ-UHFFFAOYSA-N
PubChem SID: 8139961 SID: 90340792
Wikipedia Homotaurine

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL149082



ACToR 3687-18-1
BindingDB 50281573
Brenda 43291 96598
ChEBI 1457
eMolecules 534600
EPA CompTox Dashboard DTXSID80190352
FDA SRS 5K8EAX0G53
IBM Patent System 7CBCA882EECF660460E59BF1B12F2517
KEGG Ligand C03349
Mcule MCULE-6933013590
MolPort MolPort-001-792-142
Nikkaji J205.597J
PDBe A20
PubChem 1646 6991996
PubChem: Drugs of the Future 22395206
PubChem: Thomson Pharma 15120035
SureChEMBL SCHEMBL26759
ZINC ZINC000001529636

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