Details of the Drug

General Information of Drug (ID: DMGZ0KM)

• Drug Name: CYCLORGDFV
• Synonyms: CYCLORGDFV; cyclo(Arg-Gly-Asp-D-Phe-Val); CHEMBL411941; cyclo[Arg-Gly-Asp-D-Phe-Val]; Cyclo(-Arg-Gly-Asp-D-Phe-Val); 137813-35-5; c-[-Arg-Gly-Asp-fV-]; c[Arg-Gly-Asp-(R)-Phe-Val]; cyclo-(Arg-Gly-Asp-D-Phe-Val); Cyclo(Arg-Gly-Asp-D-Phe-Val-); cyclo(-Arg-Gly-Asp-D-Phe-Val-); BDBM50237601; ZINC17655303; NCGC00167283-01; [(2S,5R,8S,11S)-5-Benzyl-11-(3-guanidino-propyl)-8-isopropyl-3,6,9,12,15-pentaoxo-1,4,7,10,13pentaaza-cyclopentadec-2-yl]-acetic acid
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 2:
  Molecular Weight (mw); 574.6
  Logarithm of the Partition Coefficient (xlogp); -1.2
  Rotatable Bond Count (rotbonds); 9
  Hydrogen Bond Donor Count (hbonddonor); 8
  Hydrogen Bond Acceptor Count (hbondacc); 8
• Chemical Identifiers:
  Formula: C26H38N8O7
  IUPAC Name: 2-[(2S,5R,8S,11S)-5-benzyl-11-[3-(diaminomethylideneamino)propyl]-3,6,9,12,15-pentaoxo-8-propan-2-yl-1,4,7,10,13-pentazacyclopentadec-2-yl]acetic acid
  Canonical SMILES: CC(C)[C@H]1C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](C(=O)N1)CC2=CC=CC=C2)CC(=O)O)CCCN=C(N)N
  InChI: InChI=1S/C26H38N8O7/c1-14(2)21-25(41)32-16(9-6-10-29-26(27)28)22(38)30-13-19(35)31-18(12-20(36)37)23(39)33-17(24(40)34-21)11-15-7-4-3-5-8-15/h3-5,7-8,14,16-18,21H,6,9-13H2,1-2H3,(H,30,38)(H,31,35)(H,32,41)(H,33,39)(H,34,40)(H,36,37)(H4,27,28,29)/t16-,17+,18-,21-/m0/s1
  InChIKey: YYQUWEHEBOMRPH-NYUBLWNDSA-N
• Cross-matching ID:
  PubChem CID: 9851104
  TTD ID: D0ID6U
  VARIDT ID: DR00788

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Integrin alpha-V (ITGAV)	TTT1R2L	ITAV_HUMAN	Inhibitor	[1]
ITGB3 messenger RNA (ITGB3 mRNA)	TTJA1ZO	ITB3_HUMAN	Inhibitor	[1]

References

• [1] Antiangiogenic effect of dual/selective alpha(5)beta(1)/alpha(v)beta(3) integrin antagonists designed on partially modified retro-inverso cyclotetr... J Med Chem. 2010 Jan 14;53(1):106-18.