Details of the Drug

General Information of Drug (ID: DMOKC41)

• Drug Name: Carbamate derivative 15
• Synonyms: PMID29053063-Compound-10g
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 494.5
  Logarithm of the Partition Coefficient (xlogp); 2.7
  Rotatable Bond Count (rotbonds); 7
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 10
• Chemical Identifiers:
  Formula: C21H29F3N2O6S
  IUPAC Name: [(2R)-1,1,1-trifluoro-3-hydroxypropan-2-yl] (3R)-3-[benzenesulfonyl(propan-2-yl)amino]-1-oxa-8-azaspiro[4.5]decane-8-carboxylate
  Canonical SMILES: CC(C)N([C@@H]1CC2(CCN(CC2)C(=O)O[C@H](CO)C(F)(F)F)OC1)S(=O)(=O)C3=CC=CC=C3
  InChI: InChI=1S/C21H29F3N2O6S/c1-15(2)26(33(29,30)17-6-4-3-5-7-17)16-12-20(31-14-16)8-10-25(11-9-20)19(28)32-18(13-27)21(22,23)24/h3-7,15-16,18,27H,8-14H2,1-2H3/t16-,18-/m1/s1
  InChIKey: FNERRHFFFPJRAG-SJLPKXTDSA-N
• Cross-matching ID:
  PubChem CID: 126502896
  TTD ID: D08EMW

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.