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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1289110
CHEMBL1289110
Compound Name TIANEPTINE
ChEMBL Synonyms TIANEPTINE
Max Phase 3
Trade Names
Molecular Formula C21H25ClN2O4S

Additional synonyms for CHEMBL1289110 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CN1c2ccccc2C(NCCCCCCC(=O)O)c3ccc(Cl)cc3S1(=O)=O
Standard InChI InChI=1S/C21H25ClN2O4S/c1-24-18-9-6-5-8-16(18)21(23-13-7-3-2 ...
Download InChI
Standard InChI Key JICJBGPOMZQUBB-UHFFFAOYSA-N

Sources

  • AstraZeneca Deposited Data
  • PubChem BioAssays
  • Scientific Literature
  • USP Dictionary of USAN and International Drug Names
  • WHO Anatomical Therapeutic Chemical Classification

Alternate Forms of Compound in ChEMBL


CHEMBL1289110

Molecule Features

CHEMBL1289110 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:Y First In Class:N Chirality:Racemic Mixture Prodrug:N Oral:Unclassified Parenteral:Unclassified Topical:Unclassified Black Box:Unclassified Availability Type:Unclassified

Indications

MESH Heading MESH ID EFO ID EFO Term Max phase for indication References
Bipolar DisorderD001714EFO:0000289bipolar disorder3ClinicalTrials
Depressive DisorderD003866EFO:0003761unipolar depression3ATC

Clinical Data

ClinicalTrials.gov TIANEPTINE
The Cochrane Collaboration TIANEPTINE

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
437 436.1224 4.19 8 86.71 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 2 0 6 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
4.75 7.46 4.13 1.59 2 29 0.61

Structural Alerts

There are 5 structural alerts for CHEMBL1289110. To view alerts please click here.

Compound Cross References

ATC N - NERVOUS SYSTEM
N06 - PSYCHOANALEPTICS
N06A - ANTIDEPRESSANTS
N06AX - Other antidepressants
N06AX14 - tianeptine

ChemSpider ChemSpider:JICJBGPOMZQUBB-UHFFFAOYSA-N
Wikipedia Tianeptine

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1289110



ACToR 72797-41-2 66981-73-5
ChEBI 91749
ChemicalBook CB3217470
DrugBank DB09289
DrugCentral 2650
eMolecules 594693 27524248
EPA CompTox Dashboard DTXSID7048295
Guide to Pharmacology 7558
Human Metabolome Database HMDB0042038
IBM Patent System 2612AF68A8995159FE70677E9173C344
LINCS LSM-1626
MolPort MolPort-003-850-549
Nikkaji J34.292K
PubChem 68870
PubChem: Thomson Pharma 14930306
SureChEMBL SCHEMBL49293

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