Details of the Drug

General Information of Drug (ID: DM9QIH4)

Drug Name
N-(piperidin-4-yl)-N-propyl-2-naphthamide
Synonyms CHEMBL565638; N-(piperidin-4-yl)-N-propyl-2-naphthamide
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) 296.4
Logarithm of the Partition Coefficient (xlogp) 3.7
Rotatable Bond Count (rotbonds) 4
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 2
Chemical Identifiers
Formula
C19H24N2O
IUPAC Name
N-piperidin-4-yl-N-propylnaphthalene-2-carboxamide
Canonical SMILES
CCCN(C1CCNCC1)C(=O)C2=CC3=CC=CC=C3C=C2
InChI
InChI=1S/C19H24N2O/c1-2-13-21(18-9-11-20-12-10-18)19(22)17-8-7-15-5-3-4-6-16(15)14-17/h3-8,14,18,20H,2,9-13H2,1H3
InChIKey
KPOGSLKDEJXGPM-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
45487772
ChEBI ID
CHEMBL565638
TTD ID
D0A7GW
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Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Serotonin transporter (SERT) TT3ROYC SC6A4_HUMAN Inhibitor [1]
Voltage-gated potassium channel Kv11.1 (KCNH2) TTQ6VDM KCNH2_HUMAN Inhibitor [1]
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References

1 Bioorg Med Chem Lett. 2009 Oct 15;19(20):5893-7. Epub 2009 Aug 21.Design and optimisation of selective serotonin re-uptake inhibitors with high synthetic accessibility: part 2.