Details of the Drug

General Information of Drug (ID: DMYUL2X)

• Drug Name: US9266828, E
• Synonyms: SCHEMBL15289761; CHEMBL3936612; BDBM207842; US9266828, E
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 3:
  Molecular Weight (mw); 600.7
  Logarithm of the Partition Coefficient (xlogp); -0.5
  Rotatable Bond Count (rotbonds); 16
  Hydrogen Bond Donor Count (hbonddonor); 9
  Hydrogen Bond Acceptor Count (hbondacc); 8
• Chemical Identifiers:
  Formula: C27H40N10O4S
  IUPAC Name: (2S)-N-[(4-carbamimidoylphenyl)methyl]-2-[[(2S)-2-[(4-carbamimidoylphenyl)methylsulfonylamino]-3-methylbutanoyl]amino]-5-(diaminomethylideneamino)pentanamide
  Canonical SMILES: CC(C)[C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC1=CC=C(C=C1)C(=N)N)NS(=O)(=O)CC2=CC=C(C=C2)C(=N)N
  InChI: InChI=1S/C27H40N10O4S/c1-16(2)22(37-42(40,41)15-18-7-11-20(12-8-18)24(30)31)26(39)36-21(4-3-13-34-27(32)33)25(38)35-14-17-5-9-19(10-6-17)23(28)29/h5-12,16,21-22,37H,3-4,13-15H2,1-2H3,(H3,28,29)(H3,30,31)(H,35,38)(H,36,39)(H4,32,33,34)/t21-,22-/m0/s1
  InChIKey: PRSVXIFOXDFBKT-VXKWHMMOSA-N
• Cross-matching ID:
  PubChem CID: 71722448
  ChEBI ID: CHEMBL3936612
  TTD ID: D02QTG
• Drug-Molecule Activity Atlas (DMA)NEW: Click to Jump to the Detailed DMA Information of This Drug

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Dibasic-processing enzyme (Furin)	TTH9WF6	FURIN_HUMAN	Inhibitor	[1]

References

• [1] Inhibitors of Furin and other pro-protein convertases. US9266828.