Details of the Drug

General Information of Drug (ID: DMGOIME)

• Drug Name: Gly-Arg-Gly-Asp-Ser-Pro-Lys
• Synonyms: Grgdspk; Gly-arg-gly-asp-ser-pro-lys; 111119-28-9; Glycyl-arginyl-glycyl-aspartyl-seryl-prolyl-lysine; CHEMBL58763; AC1L2XSM; SCHEMBL891576; DTXSID20149506; HY-P0322; BDBM50079446; ZINC38989354; MFCD00076462; AKOS027382824; N2-(1-(N-(N-(N-(N2-Glycyl-L-arginyl)glycyl)-L-alpha-aspartyl)-L-seryl)-L-prolyl)-L-lysine; NCGC00167196-01; FT-0773649; Gly-Arg-Gly-Asp-Ser-Pro-Lys, > glycyl- arginyl-glycyl-aspartyl-seryl-prolyl-lysine; L-Lysine,glycyl-L-arginylglycyl-L-a-aspartyl-L-seryl-L-prolyl-

Indication

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

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 5:
  Molecular Weight (mw); 715.8
  Logarithm of the Partition Coefficient (xlogp); -10.7
  Rotatable Bond Count (rotbonds); 23
  Hydrogen Bond Donor Count (hbonddonor); 12
  Hydrogen Bond Acceptor Count (hbondacc); 14
• Chemical Identifiers:
  Formula: C28H49N11O11
  IUPAC Name: (2S)-6-amino-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[(2-aminoacetyl)amino]-5-(diaminomethylideneamino)pentanoyl]amino]acetyl]amino]-3-carboxypropanoyl]amino]-3-hydroxypropanoyl]pyrrolidine-2-carbonyl]amino]hexanoic acid
  Canonical SMILES: C1C[C@H](N(C1)C(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@H](CCCN=C(N)N)NC(=O)CN)C(=O)N[C@@H](CCCCN)C(=O)O
  InChI: InChI=1S/C28H49N11O11/c29-8-2-1-5-16(27(49)50)37-25(47)19-7-4-10-39(19)26(48)18(14-40)38-24(46)17(11-22(43)44)36-21(42)13-34-23(45)15(35-20(41)12-30)6-3-9-33-28(31)32/h15-19,40H,1-14,29-30H2,(H,34,45)(H,35,41)(H,36,42)(H,37,47)(H,38,46)(H,43,44)(H,49,50)(H4,31,32,33)/t15-,16-,17-,18-,19-/m0/s1
  InChIKey: ZRVZOBGMZWVJOS-VMXHOPILSA-N
• Cross-matching ID:
  PubChem CID: 130667
  ChEBI ID: CHEMBL58763
  CAS Number: 111119-28-9
  TTD ID: D0LV6B
• 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
Integrin alpha-V (ITGAV)	TTT1R2L	ITAV_HUMAN	Inhibitor	[1]
ITGB3 messenger RNA (ITGB3 mRNA)	TTJA1ZO	ITB3_HUMAN	Inhibitor	[1]

References

• [1] N-Methylated cyclic RGD peptides as highly active and selective alpha(V)beta(3) integrin antagonists. J Med Chem. 1999 Aug 12;42(16):3033-40.