Details of the Drug

General Information of Drug (ID: DM8CK9M)

• Drug Name: 3-(4-Fluorophenyl)-2-nortropene
• Synonyms: CHEMBL570638; 3-(4-Fluorophenyl)-2-nortropene; 3-(4-fluorophenyl)-8-azabicyclo[3.2.1]oct-3-ene; SCHEMBL6993886; LKSXLNMBLGXHQS-UHFFFAOYSA-N; BDBM50303306; 163630-91-9

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); 203.25
  Logarithm of the Partition Coefficient (xlogp); 2.4
  Rotatable Bond Count (rotbonds); 1
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 2
• Chemical Identifiers:
  Formula: C13H14FN
  IUPAC Name: 3-(4-fluorophenyl)-8-azabicyclo[3.2.1]oct-2-ene
  Canonical SMILES: C1CC2C=C(CC1N2)C3=CC=C(C=C3)F
  InChI: InChI=1S/C13H14FN/c14-11-3-1-9(2-4-11)10-7-12-5-6-13(8-10)15-12/h1-4,7,12-13,15H,5-6,8H2
  InChIKey: LKSXLNMBLGXHQS-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 9815620
  TTD ID: D0US2X

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] Synthesis and monoamine transporter affinity of 3alpha-arylmethoxy-3beta-arylnortropanes. Bioorg Med Chem Lett. 2009 Dec 15;19(24):6865-8.