Details of the Drug

General Information of Drug (ID: DM5CULA)

• Drug Name: US8609715, A-1
• Synonyms: CHEMBL3642856; SCHEMBL13641235; BDBM109582; US8609715, A-1
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 401.4
  Logarithm of the Partition Coefficient (xlogp); 0.8
  Rotatable Bond Count (rotbonds); 9
  Hydrogen Bond Donor Count (hbonddonor); 5
  Hydrogen Bond Acceptor Count (hbondacc); 8
• Chemical Identifiers:
  Formula: C19H19N3O7
  IUPAC Name: (2S)-2-[[(E)-3-[5-(4-carbamimidoylphenoxy)carbonylfuran-2-yl]-2-methylprop-2-enoyl]amino]-3-hydroxypropanoic acid
  Canonical SMILES: C/C(=C\\C1=CC=C(O1)C(=O)OC2=CC=C(C=C2)C(=N)N)/C(=O)N[C@@H](CO)C(=O)O
  InChI: InChI=1S/C19H19N3O7/c1-10(17(24)22-14(9-23)18(25)26)8-13-6-7-15(28-13)19(27)29-12-4-2-11(3-5-12)16(20)21/h2-8,14,23H,9H2,1H3,(H3,20,21)(H,22,24)(H,25,26)/b10-8+/t14-/m0/s1
  InChIKey: NRFIREHTDRUARE-PLWJUESGSA-N
• Cross-matching ID:
  PubChem CID: 74982902
  TTD ID: D0G2TL

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Enteropeptidase (TMPRSS15)	TTXL0GC	ENTK_HUMAN	Inhibitor	[1]

References

• [1] Heteroarylcarboxylic acid ester derivative. US8609715.