Details of the Drug

General Information of Drug (ID: DMKFDQ7)

Drug Name
6-(3-aza-bicyclo[3.1.0]hexan-1-yl)quinoline
Synonyms CHEMBL503444; 6-(3-aza-bicyclo[3.1.0]hexan-1-yl)quinoline; SCHEMBL3471202
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) 210.27
Logarithm of the Partition Coefficient (xlogp) 2
Rotatable Bond Count (rotbonds) 1
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 2
Chemical Identifiers
Formula
C14H14N2
IUPAC Name
6-(3-azabicyclo[3.1.0]hexan-1-yl)quinoline
Canonical SMILES
C1C2C1(CNC2)C3=CC4=C(C=C3)N=CC=C4
InChI
InChI=1S/C14H14N2/c1-2-10-6-11(3-4-13(10)16-5-1)14-7-12(14)8-15-9-14/h1-6,12,15H,7-9H2
InChIKey
RJVNCNHNNCNEMX-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
25166858
TTD ID
D0N4YP

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.