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
Structure
3D MOL 2D MOL
#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
Drug ADMET Endpoint Profile (DAE)NEW Click to Jump to the Detailed DAE Information of This Drug

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 Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

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
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

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.