Details of the Drug

General Information of Drug (ID: DMZKGOX)

• Drug Name: US9024044, 62
• Synonyms: SCHEMBL16623655; CHEMBL3639717; BDBM158134; US9024044, 62
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 1:
  Molecular Weight (mw); 491.6
  Logarithm of the Partition Coefficient (xlogp); 3.8
  Rotatable Bond Count (rotbonds); 14
  Hydrogen Bond Donor Count (hbonddonor); 4
  Hydrogen Bond Acceptor Count (hbondacc); 8
• Chemical Identifiers:
  Formula: C24H30FN3O5S
  IUPAC Name: 5-[[2-[[5-(4-carbamimidoyl-2-fluorophenoxy)carbonylthiophen-2-yl]methyl]-2-ethylbutanoyl]amino]pentanoic acid
  Canonical SMILES: CCC(CC)(CC1=CC=C(S1)C(=O)OC2=C(C=C(C=C2)C(=N)N)F)C(=O)NCCCCC(=O)O
  InChI: InChI=1S/C24H30FN3O5S/c1-3-24(4-2,23(32)28-12-6-5-7-20(29)30)14-16-9-11-19(34-16)22(31)33-18-10-8-15(21(26)27)13-17(18)25/h8-11,13H,3-7,12,14H2,1-2H3,(H3,26,27)(H,28,32)(H,29,30)
  InChIKey: JBHHRVQRHSBNTN-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 92044970
  TTD ID: D01MPC

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.