Details of the Drug

General Information of Drug (ID: DMV5LGJ)

Drug Name
Tedatioxetine
Synonyms
TEDATIOXETINE; 508233-95-2; UNII-5H681S8O3S; Lu AA24530; 5H681S8O3S; Tedatioxetine [USAN:INN]; Tedatioxetine (USAN); 4-[2-(4-methylphenylsulfanyl)-phenyl]piperidine; SCHEMBL547653; Lu-AA24530; CHEMBL2104986; Lu-AA-24530; ZINC34003654; DB12641; SB16713; D10170; Piperidine, 4-(2-((4-methylphenyl)thio)phenyl)-
Indication
Disease Entry ICD 11 Status REF
Generalized anxiety disorder 6B00 Phase 1 [1]
Major depressive disorder 6A70.3 Phase 1 [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 283.4
Logarithm of the Partition Coefficient (xlogp) 4.5
Rotatable Bond Count (rotbonds) 3
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 2
Chemical Identifiers
Formula
C18H21NS
IUPAC Name
4-[2-(4-methylphenyl)sulfanylphenyl]piperidine
Canonical SMILES
CC1=CC=C(C=C1)SC2=CC=CC=C2C3CCNCC3
InChI
InChI=1S/C18H21NS/c1-14-6-8-16(9-7-14)20-18-5-3-2-4-17(18)15-10-12-19-13-11-15/h2-9,15,19H,10-13H2,1H3
InChIKey
CVASBKDYSQKLSO-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
9878913
CAS Number
508233-95-2
UNII
5H681S8O3S
DrugBank ID
DB12641
TTD ID
D01XUE
Repurposed Drugs (RPD) Click to Jump to the Detailed RPD Information of This Drug

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
5-HT 2C receptor (HTR2C) TTWJBZ5 5HT2C_HUMAN Modulator [2]
5-HT 3 receptor (5HT3R) TTNXLKE NOUNIPROTAC Modulator [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease Generalized anxiety disorder
ICD Disease Classification 6B00
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
5-HT 2C receptor (HTR2C) DTT HTR2C 1.02E-02 -0.45 -0.37
5-HT 2C receptor (HTR2C) DTT HTR2C 2.27E-01 0.27 0.6
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800023694)
2 Interpreting expression profiles of cancers by genome-wide survey of breadth of expression in normal tissues. Genomics 2005 Aug;86(2):127-41.