Details of the Drug

General Information of Drug (ID: DMUA72F)

• Drug Name: 1-phenyl-3-aza-bicyclo[3.1.0]hexane
• Synonyms: 1-phenyl-3-azabicyclo[3.1.0]hexane; 67644-21-7; 1-phenyl-3-aza-bicyclo[3.1.0]hexane; CHEMBL503383; 1-PHENYL-3-AZABICYCLO(3.1.0)HEXANE; 66505-14-4; SCHEMBL4557697; CTK5C4827; HYXPTPHIWQWOQF-UHFFFAOYSA-N; BDBM50243891; AKOS006370964; 1-phenyl-3-azabicyclo-[3.1.0]hexane; 1-phenyl-3-azabicyclo[3.1.0]-hexane

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); 159.23
  Logarithm of the Partition Coefficient (xlogp); 1.7
  Rotatable Bond Count (rotbonds); 1
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 1
• Chemical Identifiers:
  Formula: C11H13N
  IUPAC Name: 1-phenyl-3-azabicyclo[3.1.0]hexane
  Canonical SMILES: C1C2C1(CNC2)C3=CC=CC=C3
  InChI: InChI=1S/C11H13N/c1-2-4-9(5-3-1)11-6-10(11)7-12-8-11/h1-5,10,12H,6-8H2
  InChIKey: HYXPTPHIWQWOQF-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 10130094
  TTD ID: D09ZIU

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