Details of the Drug

General Information of Drug (ID: DMPGY0M)

• Drug Name: US9024044, 1
• Synonyms: CHEMBL3667879; SCHEMBL15605530; BDBM158073; US9024044, 1
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 1:
  Molecular Weight (mw); 491.5
  Logarithm of the Partition Coefficient (xlogp); 2
  Rotatable Bond Count (rotbonds); 11
  Hydrogen Bond Donor Count (hbonddonor); 5
  Hydrogen Bond Acceptor Count (hbondacc); 10
• Chemical Identifiers:
  Formula: C22H22FN3O7S
  IUPAC Name: (2S)-2-[[1-[[5-(4-carbamimidoyl-2-fluorophenoxy)carbonylthiophen-2-yl]methyl]cyclobutanecarbonyl]amino]butanedioic acid
  Canonical SMILES: C1CC(C1)(CC2=CC=C(S2)C(=O)OC3=C(C=C(C=C3)C(=N)N)F)C(=O)N[C@@H](CC(=O)O)C(=O)O
  InChI: InChI=1S/C22H22FN3O7S/c23-13-8-11(18(24)25)2-4-15(13)33-20(31)16-5-3-12(34-16)10-22(6-1-7-22)21(32)26-14(19(29)30)9-17(27)28/h2-5,8,14H,1,6-7,9-10H2,(H3,24,25)(H,26,32)(H,27,28)(H,29,30)/t14-/m0/s1
  InChIKey: CHAXFLSDNLDWPP-AWEZNQCLSA-N
• Cross-matching ID:
  PubChem CID: 72699917
  TTD ID: D0W6MZ

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. US9227949.