Details of the Drug

General Information of Drug (ID: DMLMHR5)

• Drug Name: PMID29053063-Compound-11c
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 1:
  Molecular Weight (mw); 472.4
  Logarithm of the Partition Coefficient (xlogp); 5.6
  Rotatable Bond Count (rotbonds); 5
  Hydrogen Bond Donor Count (hbonddonor); 0
  Hydrogen Bond Acceptor Count (hbondacc); 9
• Chemical Identifiers:
  Formula: C23H22F6N2O2
  IUPAC Name: 1,1,1,3,3,3-hexafluoropropan-2-yl 2-[(4-phenylphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxylate
  Canonical SMILES: C1C2CN(CC2CN1CC3=CC=C(C=C3)C4=CC=CC=C4)C(=O)OC(C(F)(F)F)C(F)(F)F
  InChI: InChI=1S/C23H22F6N2O2/c24-22(25,26)20(23(27,28)29)33-21(32)31-13-18-11-30(12-19(18)14-31)10-15-6-8-17(9-7-15)16-4-2-1-3-5-16/h1-9,18-20H,10-14H2
  InChIKey: YPFURSFOBNHDRO-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 90467446
  TTD ID: D0TU6D

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Monoacylglycerol lipase ABHD6 (ABHD6)	TTSINOV	ABHD6_HUMAN	Inhibitor	[1]
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.