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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL371197
CHEMBL371197
Compound Name TRIDOLGOSIR
ChEMBL Synonyms TRIDOLGOSIR | Swainsonine | GD0039 | TRIDOLGOSIR HYDROCHLORIDE
Max Phase 0
Trade Names
Molecular Formula C8H15NO3

Additional synonyms for CHEMBL371197 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES O[C@@H]1CCCN2C[C@@H](O)[C@@H](O)[C@@H]12
Standard InChI InChI=1S/C8H15NO3/c10-5-2-1-3-9-4-6(11)8(12)7(5)9/h5-8,10-12 ...
Download InChI
Standard InChI Key FXUAIOOAOAVCGD-WCTZXXKLSA-N

Sources

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

Alternate Forms of Compound in ChEMBL


CHEMBL371197

Molecule Features

CHEMBL371197 compound icon
Drug Type:Natural Product-derived Rule of Five:Y First In Class:N Chirality:Single Stereoisomer Prodrug:N Oral:Unclassified Parenteral:Unclassified Topical:Unclassified Black Box:Unclassified Availability Type:Unclassified

Clinical Data

ClinicalTrials.gov TRIDOLGOSIR
The Cochrane Collaboration TRIDOLGOSIR

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 CHEMBL371197. 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
CHEMBL4767 Vesicular acetylcholine transporter Homo sapiens 0.999
CHEMBL2179 Beta-glucocerebrosidase Homo sapiens 0.997
CHEMBL3313 Vesicular acetylcholine transporter Torpedo californica 0.967
CHEMBL3263 Histamine H3 receptor Mus musculus 0.931
CHEMBL2748 Sucrase-isomaltase Homo sapiens 0.805
CHEMBL1287623 Lethal(3)malignant brain tumor-like protein 3 Homo sapiens 0.800
CHEMBL2125 Vesicular acetylcholine transporter Rattus norvegicus 0.757
CHEMBL3602 Sigma opioid receptor Rattus norvegicus 0.487
CHEMBL2370 Norepinephrine transporter Mus musculus 0.381
CHEMBL304 Norepinephrine transporter Rattus norvegicus 0.331
CHEMBL237 Kappa opioid receptor Homo sapiens 0.243
CHEMBL2799 Dopamine transporter Mus musculus 0.238
CHEMBL3761 Beta-glucosidase Homo sapiens 0.228



10uM


ChEMBL_ID Target Name Organism Score
CHEMBL4767 Vesicular acetylcholine transporter Homo sapiens 1.000
CHEMBL3313 Vesicular acetylcholine transporter Torpedo californica 0.971
CHEMBL2179 Beta-glucocerebrosidase Homo sapiens 0.944
CHEMBL3263 Histamine H3 receptor Mus musculus 0.940
CHEMBL2748 Sucrase-isomaltase Homo sapiens 0.901
CHEMBL2125 Vesicular acetylcholine transporter Rattus norvegicus 0.878
CHEMBL1287623 Lethal(3)malignant brain tumor-like protein 3 Homo sapiens 0.859
CHEMBL3602 Sigma opioid receptor Rattus norvegicus 0.536
CHEMBL2074 Maltase-glucoamylase Homo sapiens 0.455
CHEMBL5445 GABA transporter 1 Mus musculus 0.442
CHEMBL2370 Norepinephrine transporter Mus musculus 0.426
CHEMBL3761 Beta-glucosidase Homo sapiens 0.365
CHEMBL237 Kappa opioid receptor Homo sapiens 0.264
CHEMBL233 Mu opioid receptor Homo sapiens 0.251
CHEMBL287 Sigma opioid receptor Homo sapiens 0.248
CHEMBL2799 Dopamine transporter Mus musculus 0.220

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
173.2 173.1052 -0.9 0 63.93 NEUTRAL


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 7.41 .08 -.53 0 12 0.44

Structural Alerts

There are no structural alerts for CHEMBL371197

Compound Cross References

ChemSpider ChemSpider:FXUAIOOAOAVCGD-WCTZXXKLSA-N
PubChem SID: 144205611 SID: 26756869 SID: 487039 SID: 50111467
Wikipedia Swainsonine

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL371197



ACToR 72741-87-8
BindingDB 50168995
Brenda 646
ChEBI 9367
DrugBank DB02034
eMolecules 1934828
EPA CompTox Dashboard DTXSID5046356
FDA SRS RSY4RK37KQ
IBM Patent System 8780737B00EA9883D9B262285DBE375E
KEGG Ligand C10173
LINCS LSM-45602
Metabolights MTBLC9367
MolPort MolPort-003-850-377
Nikkaji J12.698E
PDBe SWA
PubChem 51683
PubChem: Thomson Pharma 15120490 15147194
SureChEMBL SCHEMBL765848
ZINC ZINC000003875041

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