General Information of the Compound
Compound ID
CP0155932
Compound Name
WIN 35,428
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Synonyms
[3H]-2beta-carboxymethy-3beta-(4-fluorophenyl)tropane
(1R,2S,3S,5S)-Methyl 3-(4-fluorophenyl)-8-methyl-8-azabicyclo[321]octane-2-carboxylate
(1R-(exo,exo))-3-(4-Fluorophenyl)-8-methyl-8-azabicyclo(321)octane-2-carboxylic acid, methyl ester
(3H)2-Carbomethoxy-3-(4-fluorophenyl)tropane
2-CFT
2-Carbomethoxy-3-(4-fluorophenyl)tropane
2-Cmft
2beta-carbomethoxy-3beta-(4-fluorophenyl)tropane
50370-56-4
WIN 35,428
WIN35428
WIN_35428
Win 35428
[3H]-WIN35428
[3H]-beta-CFT
[3H]WIN 35,428
[3H]WIN35428
beta-Cft
methyl (1R,2S,3S,5S)-3-(4-fluorophenyl)-8-methyl-8-azabicyclo[321]octane-2-carboxylate
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Structure
Formula
C16H20FNO2
Molecular Weight
277.339
Canonical SMILES
COC(=O)[C@@H]1[C@H]2CC[C@@H](C[C@@H]1c1ccc(F)cc1)N2C
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InChI
InChI=1S/C16H20FNO2/c1-18-12-7-8-14(18)15(16(19)20-2)13(9-12)10-3-5-11(17)6-4-10/h3-6,12-15H,7-9H2,1-2H3/t12-,13+,14+,15-/m0/s1
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InChIKey
QUSLQENMLDRCTO-YJNKXOJESA-N
CAS
50370-56-4
Physicochemical Property
logP
2.565
Rotatable Bonds
2
Heavy Atom Count
20
Polar Areas
29.54
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Complexity
20

"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: 105056
SID: 15592186
ChEMBL ID
CHEMBL1944829
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
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000053 COS-7
 Cell Line Info 
Chlorocebus aethiops (Green monkey)  1
1
Ki = 13 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
CL000006 HEK293
 Cell Line Info 
Homo sapiens (Human)  1
1
Ki = 35.48 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( [3H]WIN35428 )
Drug Name [3H]WIN35428
Target(s)
Norepinephrine transporter (NET)
 Target Info 
Inhibitor
Serotonin transporter (SERT)
 Target Info 
Inhibitor
Dopamine transporter (DAT)
 Target Info 
Inhibitor