Details of the Drug

General Information of Drug (ID: DMJ0BEG)

• Drug Name: AMIFLAMINE
• Synonyms: Amiflamine; UNII-NE25WV9C8S; 77518-07-1; NE25WV9C8S; 4-[(2S)-2-aminopropyl]-N,N,3-trimethylaniline; Amiflaminum; Amiflamina; Amiflamine [INN]; Amiflaminum [Latin]; Amiflamina [Spanish]; Astra FLA 336; (+)-FLA 336; AC1Q4TOK; AC1L2FRS; AC1Q29JB; ZINC915; SCHEMBL198456; CHEMBL3989773; DTXSID00228222; AKOS006272872; (+)-4-(dimethylamino)-; A,2-dimethylphenethylamine; (+)-4-(Dimethylamino)-alpha-2-dimethylphenethylamine; Benzeneethanamine, 4-(dimethylamino)-alpha,2-dimethyl-, (S); Benzeneethanamine, 4-(dimethylamino)-alpha,2-dimethyl-,

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); 192.3
  Logarithm of the Partition Coefficient (xlogp); 2.2
  Rotatable Bond Count (rotbonds); 3
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 2
• Chemical Identifiers:
  Formula: C12H20N2
  IUPAC Name: 4-[(2S)-2-aminopropyl]-N,N,3-trimethylaniline
  Canonical SMILES: CC1=C(C=CC(=C1)N(C)C)C[C@H](C)N
  InChI: InChI=1S/C12H20N2/c1-9-7-12(14(3)4)6-5-11(9)8-10(2)13/h5-7,10H,8,13H2,1-4H3/t10-/m0/s1
  InChIKey: HFQMYSHATTXRTC-JTQLQIEISA-N
• Cross-matching ID:
  PubChem CID: 71221
  CAS Number: 77518-07-1
  TTD ID: D0X5AA

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Norepinephrine transporter (NET)	TTAWNKZ	SC6A2_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
Norepinephrine transporter (NET)	DTT	SLC6A2	7.05E-01	7.02E-03	0.07

References

• [1] Selective monoamine oxidase inhibitors. 3. Cyclic compounds related to 4-aminophenethylamine. Preparation and neuron-selective action of some 5-(2-... J Med Chem. 1986 Aug;29(8):1406-12.