Details of the Drug

General Information of Drug (ID: DMANFK8)

• Drug Name: US9024044, 4
• Synonyms: SCHEMBL15605510; CHEMBL3667882; BDBM158076; US9024044, 4
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 451.5
  Logarithm of the Partition Coefficient (xlogp); 1.8
  Rotatable Bond Count (rotbonds); 10
  Hydrogen Bond Donor Count (hbonddonor); 5
  Hydrogen Bond Acceptor Count (hbondacc); 9
• Chemical Identifiers:
  Formula: C20H22FN3O6S
  IUPAC Name: (2S)-2-[[3-[5-(4-carbamimidoyl-2-fluorophenoxy)carbonylthiophen-2-yl]-2,2-dimethylpropanoyl]amino]-3-hydroxypropanoic acid
  Canonical SMILES: CC(C)(CC1=CC=C(S1)C(=O)OC2=C(C=C(C=C2)C(=N)N)F)C(=O)N[C@@H](CO)C(=O)O
  InChI: InChI=1S/C20H22FN3O6S/c1-20(2,19(29)24-13(9-25)17(26)27)8-11-4-6-15(31-11)18(28)30-14-5-3-10(16(22)23)7-12(14)21/h3-7,13,25H,8-9H2,1-2H3,(H3,22,23)(H,24,29)(H,26,27)/t13-/m0/s1
  InChIKey: PGOXWLZRNRRTHV-ZDUSSCGKSA-N
• Cross-matching ID:
  PubChem CID: 72699919
  TTD ID: D0K3IO

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.