Details of the Drug

General Information of Drug (ID: DM6E7TA)

Drug Name
1-Biphenyl-4-yl-3-aza-bicyclo[3.1.0]hexane
Synonyms
CHEMBL505313; 86225-52-7; 1-Biphenyl-4-yl-3-aza-bicyclo[3.1.0]hexane; SCHEMBL4713453; CTK2I3607; DTXSID40534177; BDBM50243943; 1-([1,1'-Biphenyl]-4-yl)-3-azabicyclo[3.1.0]hexane; 3-Azabicyclo[3.1.0]hexane, 1-[1,1'-biphenyl]-4-yl-
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) 235.32
Logarithm of the Partition Coefficient (xlogp) 3.3
Rotatable Bond Count (rotbonds) 2
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 1
Chemical Identifiers
Formula
C17H17N
IUPAC Name
1-(4-phenylphenyl)-3-azabicyclo[3.1.0]hexane
Canonical SMILES
C1C2C1(CNC2)C3=CC=C(C=C3)C4=CC=CC=C4
InChI
InChI=1S/C17H17N/c1-2-4-13(5-3-1)14-6-8-15(9-7-14)17-10-16(17)11-18-12-17/h1-9,16,18H,10-12H2
InChIKey
FKKPHPHBDNQCCQ-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
13279027
CAS Number
86225-52-7
TTD ID
D0J4EF

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]
Serotonin transporter (SERT) TT3ROYC SC6A4_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
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
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 Studies on the structure-activity relationship of bicifadine analogs as monoamine transporter inhibitors. Bioorg Med Chem Lett. 2008 Jul 1;18(13):3682-6.