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
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 266.34
Logarithm of the Partition Coefficient (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
ChEBI ID
CHEMBL444985
TTD ID
D06QIQ
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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]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Design and optimization of selective serotonin re-uptake inhibitors with high synthetic accessibility. Part 1. Bioorg Med Chem Lett. 2009 Apr 15;19(8):2329-32.