Details of the Drug

General Information of Drug (ID: DMR0F4H)

• Drug Name: ZINC959121
• Synonyms: SCHEMBL18538657; ZINC959121; BDBM101826; AKOS001379122; MCULE-5667109528; US9695160, 40
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 369.4
  Logarithm of the Partition Coefficient (xlogp); 3.6
  Rotatable Bond Count (rotbonds); 3
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 7
• Chemical Identifiers:
  Formula: C17H18F3N3OS
  IUPAC Name: N-[2-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]thiophene-2-carboxamide
  Canonical SMILES: CN1CCN(CC1)C2=C(C=C(C=C2)C(F)(F)F)NC(=O)C3=CC=CS3
  InChI: InChI=1S/C17H18F3N3OS/c1-22-6-8-23(9-7-22)14-5-4-12(17(18,19)20)11-13(14)21-16(24)15-3-2-10-25-15/h2-5,10-11H,6-9H2,1H3,(H,21,24)
  InChIKey: ZMQGTVWBYJXOLY-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 1194266
  TTD ID: D03OBN

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
SRSF protein kinase 1 (SRPK1)	TTU3WV6	SRPK1_HUMAN	Inhibitor	[1]

References

• [1] Piperazine derivatives for treating disorders. US9695160.