Details of the Drug

General Information of Drug (ID: DMR9IE5)

• Drug Name: EEC
• Synonyms: N-[3-(3-Phenylisoxazol-5-Yl)propanoyl]-L-Alpha-Glutamyl-L-Alpha-Glutamyl-Amide; SCHEMBL14122610; CHEMBL1232489; BDBM120166; US8691753, 14; N-[3-(3-phenyl-1,2-oxazol-5-yl)propanoyl]-L-alpha-glutamyl-L-alpha-glutamine; EEC
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 1:
  Molecular Weight (mw); 474.5
  Logarithm of the Partition Coefficient (xlogp); -0.4
  Rotatable Bond Count (rotbonds); 14
  Hydrogen Bond Donor Count (hbonddonor); 5
  Hydrogen Bond Acceptor Count (hbondacc); 9
• Chemical Identifiers:
  Formula: C22H26N4O8
  IUPAC Name: (4S)-5-amino-4-[[(2S)-4-carboxy-2-[3-(3-phenyl-1,2-oxazol-5-yl)propanoylamino]butanoyl]amino]-5-oxopentanoic acid
  Canonical SMILES: C1=CC=C(C=C1)C2=NOC(=C2)CCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N
  InChI: InChI=1S/C22H26N4O8/c23-21(32)15(7-10-19(28)29)25-22(33)16(8-11-20(30)31)24-18(27)9-6-14-12-17(26-34-14)13-4-2-1-3-5-13/h1-5,12,15-16H,6-11H2,(H2,23,32)(H,24,27)(H,25,33)(H,28,29)(H,30,31)/t15-,16-/m0/s1
  InChIKey: LIIRZRQVACDFBI-HOTGVXAUSA-N
• Cross-matching ID:
  PubChem CID: 46861565
  TTD ID: D0MK8L

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Matrix metalloproteinase-10 (MMP-10)	TTXLEG7	MMP10_HUMAN	Inhibitor	[1]

References

• [1] Pseudodipeptides as MMP inhibitors. US8691753.