Details of the Drug

General Information of Drug (ID: DM3U79M)

• Drug Name: Hydrazide derivative 3
• Synonyms: PMID28117607-Compound-23
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 369.8
  Logarithm of the Partition Coefficient (xlogp); 4.3
  Rotatable Bond Count (rotbonds); 3
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 6
• Chemical Identifiers:
  Formula: C14H9ClFN3O2S2
  IUPAC Name: 5-chloro-N-[(E)-[3-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-2-ylidene]amino]thiophene-2-carboxamide
  Canonical SMILES: C1C(=O)N(/C(=N\\NC(=O)C2=CC=C(S2)Cl)/S1)C3=CC=C(C=C3)F
  InChI: InChI=1S/C14H9ClFN3O2S2/c15-11-6-5-10(23-11)13(21)17-18-14-19(12(20)7-22-14)9-3-1-8(16)2-4-9/h1-6H,7H2,(H,17,21)/b18-14+
  InChIKey: SDAYOLNMRBBFQH-NBVRZTHBSA-N
• Cross-matching ID:
  PubChem CID: 86293786
  TTD ID: D0PY1G

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Leucine-rich repeat kinase 2 (LRRK2)	TTK0FEA	LRRK2_HUMAN	Inhibitor	[1]

References

• [1] Leucine-rich repeat kinase 2 inhibitors: a patent review (2014-2016).Expert Opin Ther Pat. 2017 Jun;27(6):667-676.