Details of the Drug

General Information of Drug (ID: DM5ILK1)

Drug Name
(S)-3-(naphthalen-2-ylmethoxy)pyrrolidine
Synonyms CHEMBL445794; (S)-3-(naphthalen-2-ylmethoxy)pyrrolidine
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) 227.3
Topological Polar Surface Area (xlogp) 2.6
Rotatable Bond Count (rotbonds) 3
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 2
Chemical Identifiers
Formula
C15H17NO
IUPAC Name
(3S)-3-(naphthalen-2-ylmethoxy)pyrrolidine
Canonical SMILES
C1CNC[C@H]1OCC2=CC3=CC=CC=C3C=C2
InChI
InChI=1S/C15H17NO/c1-2-4-14-9-12(5-6-13(14)3-1)11-17-15-7-8-16-10-15/h1-6,9,15-16H,7-8,10-11H2/t15-/m0/s1
InChIKey
IQZVBBALTJFFCB-HNNXBMFYSA-N
Cross-matching ID
PubChem CID
44592118
CAS Number
1159509-09-7
TTD ID
D0E3DM

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
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

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