Details of the Drug

General Information of Drug (ID: DM6I5K1)

• Drug Name: 7-(piperidin-4-ylmethoxy)-2-naphthonitrile
• Synonyms: CHEMBL444985; 7-(piperidin-4-ylmethoxy)-2-naphthonitrile

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 266.34
  Topological Polar Surface Area (xlogp); 3.2
  Rotatable Bond Count (rotbonds); 3
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 3
• Chemical Identifiers:
  Formula: C17H18N2O
  IUPAC Name: 7-(piperidin-4-ylmethoxy)naphthalene-2-carbonitrile
  Canonical SMILES: C1CNCCC1COC2=CC3=C(C=CC(=C3)C#N)C=C2
  InChI: InChI=1S/C17H18N2O/c18-11-14-1-2-15-3-4-17(10-16(15)9-14)20-12-13-5-7-19-8-6-13/h1-4,9-10,13,19H,5-8,12H2
  InChIKey: ZINGRQZUIVEPKX-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 44592241
  TTD ID: D06QIQ

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
5-HT 3A receptor (HTR3A)	TTPC4TU	5HT3A_HUMAN	Inhibitor	[1]
Dopamine transporter (DAT)	TTVBI8W	SC6A3_HUMAN	Inhibitor	[1]
Norepinephrine transporter (NET)	TTAWNKZ	SC6A2_HUMAN	Inhibitor	[1]
Serotonin transporter (SERT)	TT3ROYC	SC6A4_HUMAN	Inhibitor	[1]
Voltage-gated potassium channel Kv11.1 (KCNH2)	TTQ6VDM	KCNH2_HUMAN	Inhibitor	[1]

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