Details of the Drug

General Information of Drug (ID: DM6XYFB)

• Drug Name: PMID29053063-Compound-7e
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 1:
  Molecular Weight (mw); 539.6
  Logarithm of the Partition Coefficient (xlogp); 4
  Rotatable Bond Count (rotbonds); 4
  Hydrogen Bond Donor Count (hbonddonor); 0
  Hydrogen Bond Acceptor Count (hbondacc); 8
• Chemical Identifiers:
  Formula: C27H24F3N5O2S
  IUPAC Name: (4R)-4-[4-(1,3-thiazole-4-carbonyl)piperazin-1-yl]-1-[1-[4-(trifluoromethyl)phenyl]indol-5-yl]pyrrolidin-2-one
  Canonical SMILES: C1CN(CCN1[C@@H]2CC(=O)N(C2)C3=CC4=C(C=C3)N(C=C4)C5=CC=C(C=C5)C(F)(F)F)C(=O)C6=CSC=N6
  InChI: InChI=1S/C27H24F3N5O2S/c28-27(29,30)19-1-3-20(4-2-19)34-8-7-18-13-21(5-6-24(18)34)35-15-22(14-25(35)36)32-9-11-33(12-10-32)26(37)23-16-38-17-31-23/h1-8,13,16-17,22H,9-12,14-15H2/t22-/m1/s1
  InChIKey: ACWGPXVJPMRMHD-JOCHJYFZSA-N
• Cross-matching ID:
  PubChem CID: 118196736
  TTD ID: D0TW7K

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Monoglyceride lipase (MAGL)	TTZ963I	MGLL_HUMAN	Inhibitor	[1]

References

• [1] A patent review of Monoacylglycerol Lipase (MAGL) inhibitors (2013-2017).Expert Opin Ther Pat. 2017 Dec;27(12):1341-1351.