Details of the Drug

General Information of Drug (ID: DM6MSKT)

• Drug Name: SIB-1765F
• Synonyms: SIB 1765F; Pyridine, 3-ethynyl-5-(1-methyl-2-pyrrolidinyl)-, (E)-2-butenedioate (1:1); Pyridine, 3-ethynyl-5-(1-methyl-2-pyrrolidinyl)-, (2E)-2-butenedioate (1:1); C12H14N2.C4H4O4; AC1O5WWQ; SCHEMBL194945; SCHEMBL3099334; SIB 1508Y, fumarate, E-isomer; 179120-52-6; LS-173698
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight; 302.32
  Logarithm of the Partition Coefficient; Not Available
  Rotatable Bond Count; 4
  Hydrogen Bond Donor Count; 2
  Hydrogen Bond Acceptor Count; 6
• Chemical Identifiers:
  Formula: C16H18N2O4
  IUPAC Name: (E)-but-2-enedioic acid;3-ethynyl-5-(1-methylpyrrolidin-2-yl)pyridine
  Canonical SMILES: CN1CCCC1C2=CN=CC(=C2)C#C.C(=C/C(=O)O)\\C(=O)O
  InChI: InChI=1S/C12H14N2.C4H4O4/c1-3-10-7-11(9-13-8-10)12-5-4-6-14(12)2;5-3(6)1-2-4(7)8/h1,7-9,12H,4-6H2,2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+
  InChIKey: BCPPKHPWLRPWBJ-WLHGVMLRSA-N
• Cross-matching ID:
  PubChem CID: 6442277
  CAS Number: 179120-52-6
  TTD ID: D04JNR

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Nicotinic acetylcholine receptor (nAChR)	TTJSZTB	NOUNIPROTAC	Agonist	[1]

References

• [1] Interactions between a novel cholinergic ion channel agonist, SIB-1765F and L-DOPA in the reserpine model of Parkinson's disease in rats. J Pharmacol Exp Ther. 1997 Jan;280(1):393-401.