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]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

227.3

Logarithm of the Partition Coefficient (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

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]

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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.