Details of the Drug

General Information of Drug (ID: DM4W92J)

Drug Name
TC-2216
Synonyms
NNR Therapeutics; TC-5685; Nicotinic ACh modulators (schizophrenia), Targacept; Alpha-4 beta-2 neuronal nicotinic receptor (schizophrenia, depression), Targacept; Oral alpha-4/beta-2 neuronal nicotinic receptor stimulator (shizophrenia/depression), Targacept
Indication
Disease Entry ICD 11 Status REF
Mood disorder 6A60-6E23 Phase 1 [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 203.28
Logarithm of the Partition Coefficient (xlogp) 1
Rotatable Bond Count (rotbonds) 1
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
C12H17N3
IUPAC Name
7-pyridin-3-yl-1,7-diazaspiro[4.4]nonane
Canonical SMILES
C1CC2(CCN(C2)C3=CN=CC=C3)NC1
InChI
InChI=1S/C12H17N3/c1-3-11(9-13-6-1)15-8-5-12(10-15)4-2-7-14-12/h1,3,6,9,14H,2,4-5,7-8,10H2
InChIKey
NXIPMBQVNTWEEX-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
10176607
CAS Number
646055-67-6
TTD ID
D00EZO

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Neuronal acetylcholine receptor alpha-4/beta-2 (CHRNA4/B2) TTL1ATN ACHA4_HUMAN ; ACHB2_HUMAN Modulator [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease Mood disorder
ICD Disease Classification 6A60-6E23
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Neuronal acetylcholine receptor alpha-4/beta-2 (CHRNA4/B2) DTT CHRNA4-CHRNB2 3.51E-10 -0.15 -0.61
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 ClinicalTrials.gov (NCT00583544) A Safety and Tolerability Single Ascending Dose Study in Healthy Volunteers. U.S. National Institutes of Health.
2 TC-5214 (S-(+)-mecamylamine): a neuronal nicotinic receptor modulator with antidepressant activity.CNS Neurosci Ther.2008 Winter;14(4):266-77.