General Information of the Compound
Compound ID
CP0372819
Compound Name
2-(Aminomethyl)-5-(2'-naphthyl)tetrahydrofuran
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Synonyms
2-(Aminomethyl)-5-(2'-naphthyl)tetrahydrofuran
BDBM50276457
CHEMBL504028
SCHEMBL2690271
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Structure
Formula
C15H17NO
Molecular Weight
227.307
Canonical SMILES
NCC1CCC(O1)c1ccc2ccccc2c1
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InChI
InChI=1S/C15H17NO/c16-10-14-7-8-15(17-14)13-6-5-11-3-1-2-4-12(11)9-13/h1-6,9,14-15H,7-8,10,16H2
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InChIKey
BVTKYAZPIRQNNS-UHFFFAOYSA-N
Physicochemical Property
logP
3.0186
Rotatable Bonds
2
Heavy Atom Count
17
Polar Areas
35.25
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Complexity
17

"RO5" indicates the cutoff set by lipinski's rule of five:

(1) Molecular weight less than 500 Dalton;

(2) xlogp less than 5;

(3) No more than 5 hbonddonor (Hydrogen Bond Donor Count);

(4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count);

(5) No more than 10 rotbonds (Rotatable Bond Count).

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PubChem ID
CID: 11637187
SID: 16740367
ChEMBL ID
CHEMBL504028
Map of Molecular Bioactivity Related to the Compound
Map of Molecular Bioactivity Related to the Compound

Compound
Cell Line
Protein

Bioactivity Value:

<= 0.1 μM
> 0.1 μM and <= 10 μM
> 10 μM
Imprecise Activity
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT00884, Sodium-dependent dopamine transporter
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  2
1
IC50 = 28 nM
   TI
   LI
   LO
   TS
2
Ki = 512 nM
   TI
   LI
   LO
   TS
Protein ID: PT01026, Sodium-dependent noradrenaline transporter
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  2
1
IC50 = 58 nM
   TI
   LI
   LO
   TS
2
Ki > 10000 nM
   TI
   LI
   LO
   TS
Protein ID: PT00871, Sodium-dependent serotonin transporter
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  2
1
IC50 = 4 nM
   TI
   LI
   LO
   TS
2
Ki = 45 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( 2-(Aminomethyl)-5-(2'-naphthyl)tetrahydrofuran )
Drug Name 2-(Aminomethyl)-5-(2'-naphthyl)tetrahydrofuran
Target(s)
Dopamine transporter (DAT)
Inhibitor
Serotonin transporter (SERT)
Inhibitor
Norepinephrine transporter (NET)
Inhibitor