Details of the Drug

General Information of Drug (ID: DMUI8F3)

• Drug Name: Friulimicin
• Synonyms: Friulimicin B; Friulimicin (antibacterial), Combinature; Friulimicin (antibiotic), Combinature; Friulimicin (iv, bacterial infection), Combinature; Friulimicin (iv, bacterial infection), Merlion; Friulimicin (topical, bacterial infection), Merlion

Indication

Disease Entry	ICD 11	Status	REF
Bacterial infection	1A00-1C4Z	Phase 1	[1]

• #Ro5 Violations (Lipinski): 5:
  Molecular Weight (mw); 1303.5
  Logarithm of the Partition Coefficient (xlogp); -3
  Rotatable Bond Count (rotbonds); 23
  Hydrogen Bond Donor Count (hbonddonor); 15
  Hydrogen Bond Acceptor Count (hbondacc); 20
• Chemical Identifiers:
  Formula: C59H94N14O19
  IUPAC Name: (2S)-2-[(3S,4S,7S,13S,16R,22S,28S,31S,34R)-16-[(1R)-1-aminoethyl]-3-[[(2S)-4-amino-2-[[(Z)-12-methyltridec-3-enoyl]amino]-4-oxobutanoyl]amino]-22,28-bis(carboxymethyl)-4-methyl-2,6,12,15,18,21,24,27,30,33-decaoxo-13-propan-2-yl-1,5,11,14,17,20,23,26,29,32-decazatricyclo[32.4.0.07,11]octatriacontan-31-yl]propanoic acid
  Canonical SMILES: C[C@H]1[C@@H](C(=O)N2CCCC[C@@H]2C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)NCC(=O)N[C@@H](C(=O)N[C@H](C(=O)N3CCC[C@H]3C(=O)N1)C(C)C)[C@@H](C)N)CC(=O)O)CC(=O)O)[C@H](C)C(=O)O)NC(=O)[C@H](CC(=O)N)NC(=O)C/C=C\\CCCCCCCC(C)C
  InChI: InChI=1S/C59H94N14O19/c1-30(2)19-14-12-10-8-9-11-13-15-22-41(75)65-35(25-40(61)74)52(84)71-49-34(7)64-53(85)39-21-18-24-73(39)57(89)46(31(3)4)69-56(88)48(33(6)60)68-43(77)29-63-50(82)36(26-44(78)79)66-42(76)28-62-51(83)37(27-45(80)81)67-55(87)47(32(5)59(91)92)70-54(86)38-20-16-17-23-72(38)58(49)90/h13,15,30-39,46-49H,8-12,14,16-29,60H2,1-7H3,(H2,61,74)(H,62,83)(H,63,82)(H,64,85)(H,65,75)(H,66,76)(H,67,87)(H,68,77)(H,69,88)(H,70,86)(H,71,84)(H,78,79)(H,80,81)(H,91,92)/b15-13-/t32-,33+,34-,35-,36-,37-,38+,39-,46-,47-,48+,49-/m0/s1
  InChIKey: HVYFVLAUKMGKHL-USKUEUQVSA-N
• Cross-matching ID:
  PubChem CID: 56842195
  CAS Number: 02-15-4
  TTD ID: D0G6HI

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Bacterial Cell membrane (Bact CM)	TTXT4D5	NOUNIPROTAC	Inhibitor	[2]

References

• [1] ClinicalTrials.gov (NCT00492271) First Time in Man Trial for Friulimicin B. U.S. National Institutes of Health.
• [2] Model membrane approaches to determine the role of calcium for the antimicrobial activity of friulimicin. Int J Antimicrob Agents. 2011 Mar;37(3):256-60.