Details of the Drug

General Information of Drug (ID: DMKNDMB)

• Drug Name: US9024044, 3
• Synonyms: SCHEMBL15605631; CHEMBL3667881; BDBM158075; US9024044, 3
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 421.4
  Logarithm of the Partition Coefficient (xlogp); 2.5
  Rotatable Bond Count (rotbonds); 9
  Hydrogen Bond Donor Count (hbonddonor); 4
  Hydrogen Bond Acceptor Count (hbondacc); 8
• Chemical Identifiers:
  Formula: C19H20FN3O5S
  IUPAC Name: 2-[[3-[5-(4-carbamimidoyl-2-fluorophenoxy)carbonylthiophen-2-yl]-2,2-dimethylpropanoyl]amino]acetic acid
  Canonical SMILES: CC(C)(CC1=CC=C(S1)C(=O)OC2=C(C=C(C=C2)C(=N)N)F)C(=O)NCC(=O)O
  InChI: InChI=1S/C19H20FN3O5S/c1-19(2,18(27)23-9-15(24)25)8-11-4-6-14(29-11)17(26)28-13-5-3-10(16(21)22)7-12(13)20/h3-7H,8-9H2,1-2H3,(H3,21,22)(H,23,27)(H,24,25)
  InChIKey: FBFZNZYSXBOYCU-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 72699918
  TTD ID: D0VE7D

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. US9024044.