TIANEPTINE

Search structure
Synonyms:
Status: Phase 3
Entry Type: Small molecule
Molecule Category: Parent
ATC: N06AX14
UNII: 0T493YFU8O

Structure
InChI Key JICJBGPOMZQUBB-UHFFFAOYSA-N
Smile CN1c2ccccc2C(NCCCCCCC(=O)O)c2ccc(Cl)cc2S1(=O)=O
InChI
InChI=1S/C21H25ClN2O4S/c1-24-18-9-6-5-8-16(18)21(23-13-7-3-2-4-10-20(25)26)17-12-11-15(22)14-19(17)29(24,27)28/h5-6,8-9,11-12,14,21,23H,2-4,7,10,13H2,1H3,(H,25,26)

Physicochemical Descriptors

Property Name Value
Molecular Formula C21H25ClN2O4S
Molecular Weight 436.96
AlogP 4.19
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 8.0
Polar Surface Area 86.71
Molecular species ACID
Aromatic Rings 2.0
Heavy Atoms 29.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Bipolar Disorder 3 D001714 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEBI 91749
ChEMBL CHEMBL1289110
DrugBank DB09289
DrugCentral 2650
EPA CompTox DTXSID7048295
FDA SRS 0T493YFU8O
Human Metabolome Database HMDB0042038
Guide to Pharmacology 7558
SureChEMBL SCHEMBL49293
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