General Information of the Compound
Compound ID
CP0103744
Compound Name
CAS_92623-85-3
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Synonyms
(+-)-cis-2-(Aminomethyl)-N,N-diethyl-1-phenylcyclopropanecarboxamide
(1R,2S)-2-(aminomethyl)-N,N-diethyl-1-phenylcyclopropane-1-carboxamide
1-phenyl-1-diethylaminocarbonyl-2-aminomethylcyclopropane HCl
F 2207
F-2207
Ixel
Ixel (TN)
Midalcipran
Milnacipran
Milnacipran [INN]
Milnacipran(INN)
Milnacipranum
Milnacipranum [Latin]
Savella (TN)
Toledomin
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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+/m1/s1
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InChIKey
GJJFMKBJSRMPLA-HIFRSBDPSA-N
CAS
105310-09-6
92623-85-3
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: 65833
SID: 15122095
ChEMBL ID
CHEMBL252923
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: PT06796, POU domain, class 2, transcription factor 1
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293
 Cell Line Info 
Homo sapiens (Human)  1
1
Km = 2260 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Protein ID: PT00871, Sodium-dependent serotonin transporter
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO
 Cell Line Info 
Cricetulus griseus (Chinese hamster)  1
1
IC50 = 64 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
CL000006 HEK293
 Cell Line Info 
Homo sapiens (Human)  1
1
Ki = 22 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 3500 nM
Clinical Information about the Compound
Drug 1 ( Milnacipran )
Drug Name Milnacipran
Company Silesia Laboratories
Indication
Depression
Approved
Target(s)
Norepinephrine transporter (NET)
 Target Info 
Inhibitor