Details of the Drug

General Information of Drug (ID: DMED4AJ)

• Drug Name: BGC-20-1259
• Synonyms: RS-1259

Indication

Disease Entry	ICD 11	Status	REF
Parkinson disease	8A00.0	Phase 1	[1]

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 3:
  Molecular Weight; 862.9
  Logarithm of the Partition Coefficient; Not Available
  Rotatable Bond Count; 18
  Hydrogen Bond Donor Count; 4
  Hydrogen Bond Acceptor Count; 16
• Chemical Identifiers:
  Formula: C42H50N6O14
  IUPAC Name: (E)-but-2-enedioic acid;[4-[(1S)-1-(methylamino)-3-(4-nitrophenoxy)propyl]phenyl] N,N-dimethylcarbamate
  Canonical SMILES: CN[C@@H](CCOC1=CC=C(C=C1)[N+](=O)[O-])C2=CC=C(C=C2)OC(=O)N(C)C.CN[C@@H](CCOC1=CC=C(C=C1)[N+](=O)[O-])C2=CC=C(C=C2)OC(=O)N(C)C.C(=C/C(=O)O)\\C(=O)O
  InChI: InChI=1S/2C19H23N3O5.C4H4O4/c2*1-20-18(12-13-26-16-10-6-15(7-11-16)22(24)25)14-4-8-17(9-5-14)27-19(23)21(2)3;5-3(6)1-2-4(7)8/h2*4-11,18,20H,12-13H2,1-3H3;1-2H,(H,5,6)(H,7,8)/b;;2-1+/t2*18-;/m00./s1
  InChIKey: JOSUCKKYZJUIPW-SOBORHNCSA-N
• Cross-matching ID:
  PubChem CID: 6918634
  TTD ID: D03PRV

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Serotonin transporter (SERT)	TT3ROYC	SC6A4_HUMAN	Modulator	[2]

Molecular Expression Atlas of This Drug

• The Studied Disease: Parkinson disease
• ICD Disease Classification: 8A00.0

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Serotonin transporter (SERT)	DTT	SLC6A4	8.76E-01	7.18E-05	6.19E-04

References

• [1] Pharmacological characterization of RS-1259, an orally active dual inhibitor of acetylcholinesterase and serotonin transporter, in rodents: possible treatment of Alzheimer's disease. J Pharmacol Sci.2003 Sep;93(1):95-105.
• [2] Bifeprunox: a partial agonist at dopamine D2 and serotonin 1A receptors, influences nicotine-seeking behaviour in response to drug-associated stimuli in rats.Addict Biol.2012 Mar;17(2):274-86.