Details of the Drug

General Information of Drug (ID: DMSLBT3)

• Drug Name: US9346821, A-20
• Synonyms: CHEMBL3891228; SCHEMBL17770900; BDBM234241; US9346821, A-20
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 432.4
  Logarithm of the Partition Coefficient (xlogp); 0
  Rotatable Bond Count (rotbonds); 10
  Hydrogen Bond Donor Count (hbonddonor); 5
  Hydrogen Bond Acceptor Count (hbondacc); 9
• Chemical Identifiers:
  Formula: C19H20N4O8
  IUPAC Name: (2S)-2-[[[5-(4-carbamimidoylphenoxy)carbonylfuran-2-yl]methyl-methylcarbamoyl]amino]butanedioic acid
  Canonical SMILES: CN(CC1=CC=C(O1)C(=O)OC2=CC=C(C=C2)C(=N)N)C(=O)N[C@@H](CC(=O)O)C(=O)O
  InChI: InChI=1S/C19H20N4O8/c1-23(19(29)22-13(17(26)27)8-15(24)25)9-12-6-7-14(30-12)18(28)31-11-4-2-10(3-5-11)16(20)21/h2-7,13H,8-9H2,1H3,(H3,20,21)(H,22,29)(H,24,25)(H,26,27)/t13-/m0/s1
  InChIKey: IPAMUZPOGLKECI-ZDUSSCGKSA-N
• Cross-matching ID:
  PubChem CID: 71491786
  TTD ID: D09KTX

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] Heterocyclic carboxylic acid ester derivative. US9346821.