Details of the Drug

General Information of Drug (ID: DMCN91V)

• Drug Name: MI-1148
• Synonyms: 4-guanidinomethyl-phenylacteyl-Arg-Tle-Arg-4-amidinobenzylamide; para-guanidinomethyl-Phac-R-Tle-R-Amba

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 3:
  Molecular Weight (mw); 763.9
  Logarithm of the Partition Coefficient (xlogp); -1.8
  Rotatable Bond Count (rotbonds); 22
  Hydrogen Bond Donor Count (hbonddonor); 12
  Hydrogen Bond Acceptor Count (hbondacc); 8
• Chemical Identifiers:
  Formula: C36H57N15O4
  IUPAC Name: (2S)-N-[(2S)-1-[(4-carbamimidoylphenyl)methylamino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-2-[[(2S)-5-(diaminomethylideneamino)-2-[[2-[4-[(diaminomethylideneamino)methyl]phenyl]acetyl]amino]pentanoyl]amino]-3,3-dimethylbutanamide
  Canonical SMILES: CC(C)(C)[C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC1=CC=C(C=C1)C(=N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)CC2=CC=C(C=C2)CN=C(N)N
  InChI: InChI=1S/C36H57N15O4/c1-36(2,3)28(32(55)50-25(6-4-16-45-33(39)40)30(53)47-19-23-12-14-24(15-13-23)29(37)38)51-31(54)26(7-5-17-46-34(41)42)49-27(52)18-21-8-10-22(11-9-21)20-48-35(43)44/h8-15,25-26,28H,4-7,16-20H2,1-3H3,(H3,37,38)(H,47,53)(H,49,52)(H,50,55)(H,51,54)(H4,39,40,45)(H4,41,42,46)(H4,43,44,48)/t25-,26-,28+/m0/s1
  InChIKey: HXVPWVPTVOOCMV-UNCTUWKVSA-N
• Cross-matching ID:
  PubChem CID: 91758390
  TTD ID: D08VTS

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] Novel Furin Inhibitors with Potent Anti-infectious Activity. ChemMedChem. 2015 Jul;10(7):1218-31.