Details of the Drug

General Information of Drug (ID: DM5UM8I)

• Drug Name: EEA
• Synonyms: N-{3-[3-(3'-Chlorobiphenyl-4-Yl)isoxazol-5-Yl]propanoyl}-L-Alpha-Glutamyl-L-Alpha-Glutamyl-Amide; SCHEMBL14122533; CHEMBL1232487; BDBM120155; US8691753, 3; N-{3-[3-(3'-chlorobiphenyl-4-yl)-1,2-oxazol-5-yl]propanoyl}-L-alpha-glutamyl-L-alpha-glutamine; EEA
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 2:
  Molecular Weight (mw); 585
  Logarithm of the Partition Coefficient (xlogp); 1.9
  Rotatable Bond Count (rotbonds); 15
  Hydrogen Bond Donor Count (hbonddonor); 5
  Hydrogen Bond Acceptor Count (hbondacc); 9
• Chemical Identifiers:
  Formula: C28H29ClN4O8
  IUPAC Name: (4S)-5-amino-4-[[(2S)-4-carboxy-2-[3-[3-[4-(3-chlorophenyl)phenyl]-1,2-oxazol-5-yl]propanoylamino]butanoyl]amino]-5-oxopentanoic acid
  Canonical SMILES: C1=CC(=CC(=C1)Cl)C2=CC=C(C=C2)C3=NOC(=C3)CCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N
  InChI: InChI=1S/C28H29ClN4O8/c29-19-3-1-2-18(14-19)16-4-6-17(7-5-16)23-15-20(41-33-23)8-11-24(34)31-22(10-13-26(37)38)28(40)32-21(27(30)39)9-12-25(35)36/h1-7,14-15,21-22H,8-13H2,(H2,30,39)(H,31,34)(H,32,40)(H,35,36)(H,37,38)/t21-,22-/m0/s1
  InChIKey: KOVQMCGGWATESY-VXKWHMMOSA-N
• Cross-matching ID:
  PubChem CID: 46861564
  TTD ID: D09GMS

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.