Details of the Drug

General Information of Drug (ID: DM5YD4W)

• Drug Name: Heteroaromatic ring derivative 2
• Synonyms: PMID28447479-Compound-17
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 440.3
  Logarithm of the Partition Coefficient (xlogp); 2.7
  Rotatable Bond Count (rotbonds); 8
  Hydrogen Bond Donor Count (hbonddonor); 2
  Hydrogen Bond Acceptor Count (hbondacc); 5
• Chemical Identifiers:
  Formula: C19H23Cl2N5O3
  IUPAC Name: (3,5-dichlorophenyl)methyl 4-[4-(2H-triazol-4-yl)butanoylamino]piperidine-1-carboxylate
  Canonical SMILES: C1CN(CCC1NC(=O)CCCC2=NNN=C2)C(=O)OCC3=CC(=CC(=C3)Cl)Cl
  InChI: InChI=1S/C19H23Cl2N5O3/c20-14-8-13(9-15(21)10-14)12-29-19(28)26-6-4-16(5-7-26)23-18(27)3-1-2-17-11-22-25-24-17/h8-11,16H,1-7,12H2,(H,23,27)(H,22,24,25)
  InChIKey: GAMSNABJTRSYDT-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 75203906
  TTD ID: D0NG8Q

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Extracellular lysophospholipase D (E-NPP2)	TTSCIM2	ENPP2_HUMAN	Inhibitor	[1]

References

• [1] Autotaxin inhibitors: a patent review (2012-2016).Expert Opin Ther Pat. 2017 Jul;27(7):815-829.