Details of the Drug

General Information of Drug (ID: DM7Y5AN)

• Drug Name: 1S,2R-milnacipran
• Synonyms: CHEMBL471001; AC1MHWCG; SCHEMBL1707471; ZINC5649654; BDBM50275771; NCGC00165825-02; AJ-54473; FT-0696627; cyclopropanecarboxamide,2-(aminomethyl)-n,n-diethyl-1-phenyl-, (1r,2s)-; N,N-Diethyl-1-phenyl-2alpha-(aminomethyl)cyclopropane-1beta-carboxamide

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 246.35
  Logarithm of the Partition Coefficient (xlogp); 1.4
  Rotatable Bond Count (rotbonds); 5
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 2
• Chemical Identifiers:
  Formula: C15H22N2O
  IUPAC Name: (1R,2R)-2-(aminomethyl)-N,N-diethyl-1-phenylcyclopropane-1-carboxamide
  Canonical SMILES: CCN(CC)C(=O)[C@@]1(C[C@H]1CN)C2=CC=CC=C2
  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
  InChIKey: GJJFMKBJSRMPLA-ZFWWWQNUSA-N
• Cross-matching ID:
  PubChem CID: 3033806
  TTD ID: D03BQV

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]

Molecular Expression Atlas of This Drug

• The Studied Disease: Discovery agent
• ICD Disease Classification: N.A.

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Dopamine transporter (DAT)	DTT	SLC6A3	1.08E-03	-3.08	-1.99
Serotonin transporter (SERT)	DTT	SLC6A4	8.76E-01	7.18E-05	6.19E-04

References

• [1] Characterization of thien-2-yl 1S,2R-milnacipran analogues as potent norepinephrine/serotonin transporter inhibitors for the treatment of neuropath... J Med Chem. 2008 Nov 27;51(22):7265-72.