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
• #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
  ChEBI ID: CHEMBL504652
  CAS Number: 646055-67-6
  TTD ID: D00EZO
• Drug-Molecule Activity Atlas (DMA)NEW: Click to Jump to the Detailed DMA Information of This Drug

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 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

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.