Details of the Drug

General Information of Drug (ID: DMTMG02)

• Drug Name: US8569313, Inhibitor 15
• Synonyms: CHEMBL3655686; SCHEMBL19309680; SCHEMBL12998675; US8569313, Inhibitor 15; BDBM104907
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 1:
  Molecular Weight (mw); 553.7
  Logarithm of the Partition Coefficient (xlogp); 0.5
  Rotatable Bond Count (rotbonds); 10
  Hydrogen Bond Donor Count (hbonddonor); 5
  Hydrogen Bond Acceptor Count (hbondacc); 7
• Chemical Identifiers:
  Formula: C28H39N7O3S
  IUPAC Name: 3-[3-[4-(2-aminoethyl)piperidin-1-yl]-2-[[3-(6-amino-2,3,4,5-tetrahydropyridin-3-yl)phenyl]sulfonylamino]-3-oxopropyl]benzenecarboximidamide
  Canonical SMILES: C1CC(=NCC1C2=CC(=CC=C2)S(=O)(=O)NC(CC3=CC(=CC=C3)C(=N)N)C(=O)N4CCC(CC4)CCN)N
  InChI: InChI=1S/C28H39N7O3S/c29-12-9-19-10-13-35(14-11-19)28(36)25(16-20-3-1-5-22(15-20)27(31)32)34-39(37,38)24-6-2-4-21(17-24)23-7-8-26(30)33-18-23/h1-6,15,17,19,23,25,34H,7-14,16,18,29H2,(H2,30,33)(H3,31,32)
  InChIKey: JLKDEEFFWQESQM-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 25181492
  TTD ID: D0U4EO

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Suppressor of tumorigenicity 14 protein (ST14)	TTPRO7W	ST14_HUMAN	Inhibitor	[1]

References

• [1] Meta-substituted phenyl sulfonyl amides of secondary amino acid amides, the production thereof, and use thereof as matriptase inhibitors. US8569313.