General Information of the Compound
Compound ID
CP0156540
Compound Name
(1S,2R)-2-(aminomethyl)-N,N-diethyl-1-phenylcyclopropanecarboxamide
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Synonyms
(1S,2R)-2-(aminomethyl)-N,N-diethyl-1-phenylcyclopropane-1-carboxamide
(1S,2R)-2-(aminomethyl)-N,N-diethyl-1-phenylcyclopropanecarboxamide
96847-54-0
AC1OCEN8
BDBM50032379
CHEBI:136040
CHEMBL99946
D10072
DB08918
F 2695
F-2695
Fetzima
GJJFMKBJSRMPLA-DZGCQCFKSA-N
GTPL7435
Levomilnacipran
Levomilnacipran (USAN/INN)
Levomilnacipran HCl
Levomilnacipran [USAN:INN]
Milnacipram
SB17447
SCHEMBL1414867
UGM0326TXX
UNII-UGM0326TXX
ZINC506
f2-695
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Structure
Formula
C15H22N2O
Molecular Weight
246.354
Canonical SMILES
CCN(CC)C(=O)[C@]1(C[C@H]1CN)c1ccccc1
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InChI
InChI=1S/C15H22N2O/c1-3-17(4-2)14(18)15(10-13(15)11-16)12-8-6-5-7-9-12/h5-9,13H,3-4,10-11,16H2,1-2H3/t13-,15+/m0/s1
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InChIKey
GJJFMKBJSRMPLA-DZGCQCFKSA-N
CAS
96847-54-0
Physicochemical Property
logP
1.7714
Rotatable Bonds
5
Heavy Atom Count
18
Polar Areas
46.33
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Complexity
18

"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: 6917779
SID: 16010452
ChEMBL ID
CHEMBL99946
DrugBank ID
DB08918
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)  1
1
IC50 = 3200 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 3200 nM
Protein ID: PT01026, Sodium-dependent noradrenaline transporter
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 40 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 40 nM
Protein ID: PT00871, Sodium-dependent serotonin transporter
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 320 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 320 nM
Clinical Information about the Compound
Drug 1 ( Levomilnacipran )
Drug Name Levomilnacipran
Company Forest Laboratories
Indication
Fibromyalgia
Approved
Target(s)
Norepinephrine transporter (NET)
Modulator
Serotonin transporter (SERT)
Modulator