Details of the Drug

General Information of Drug (ID: DMWRXS8)

• Drug Name: US9024044, 2
• Synonyms: SCHEMBL16623616; CHEMBL3667880; BDBM158074; US9024044, 2
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 2:
  Molecular Weight (mw); 505.5
  Logarithm of the Partition Coefficient (xlogp); 2.5
  Rotatable Bond Count (rotbonds); 11
  Hydrogen Bond Donor Count (hbonddonor); 5
  Hydrogen Bond Acceptor Count (hbondacc); 10
• Chemical Identifiers:
  Formula: C23H24FN3O7S
  IUPAC Name: (2S)-2-[[1-[[5-(4-carbamimidoyl-2-fluorophenoxy)carbonylthiophen-2-yl]methyl]cyclopentanecarbonyl]amino]butanedioic acid
  Canonical SMILES: C1CCC(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/C23H24FN3O7S/c24-14-9-12(19(25)26)3-5-16(14)34-21(32)17-6-4-13(35-17)11-23(7-1-2-8-23)22(33)27-15(20(30)31)10-18(28)29/h3-6,9,15H,1-2,7-8,10-11H2,(H3,25,26)(H,27,33)(H,28,29)(H,30,31)/t15-/m0/s1
  InChIKey: HXDKJHJAMFQXBA-HNNXBMFYSA-N
• Cross-matching ID:
  PubChem CID: 90019132
  TTD ID: D0ZN0D

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. US9655879.