Details of the Drug

General Information of Drug (ID: DMCJHK2)

• Drug Name: 3ts4
• Synonyms: N-{3-[4-(4-Phenylthiophen-2-Yl)phenyl]propanoyl}-L-Alpha-Glutamyl-L-Alpha-Glutamyl-Amide; US8691753, 96; 3ts4; SCHEMBL6868348; CHEMBL1232492; BDBM120246; US8691753, 95; N-{3-[4-(4-phenylthiophen-2-yl)phenyl]propanoyl}-L-alpha-glutamyl-L-alpha-glutamine
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 2:
  Molecular Weight (mw); 565.6
  Logarithm of the Partition Coefficient (xlogp); 2.5
  Rotatable Bond Count (rotbonds); 15
  Hydrogen Bond Donor Count (hbonddonor); 5
  Hydrogen Bond Acceptor Count (hbondacc); 8
• Chemical Identifiers:
  Formula: C29H31N3O7S
  IUPAC Name: (4S)-5-amino-4-[[(2S)-4-carboxy-2-[3-[4-(4-phenylthiophen-2-yl)phenyl]propanoylamino]butanoyl]amino]-5-oxopentanoic acid
  Canonical SMILES: C1=CC=C(C=C1)C2=CSC(=C2)C3=CC=C(C=C3)CCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N
  InChI: InChI=1S/C29H31N3O7S/c30-28(38)22(11-14-26(34)35)32-29(39)23(12-15-27(36)37)31-25(33)13-8-18-6-9-20(10-7-18)24-16-21(17-40-24)19-4-2-1-3-5-19/h1-7,9-10,16-17,22-23H,8,11-15H2,(H2,30,38)(H,31,33)(H,32,39)(H,34,35)(H,36,37)/t22-,23-/m0/s1
  InChIKey: MMIHYNVQXYWTFM-GOTSBHOMSA-N
• Cross-matching ID:
  PubChem CID: 46861563
  ChEBI ID: CHEMBL1232492
  TTD ID: D0KZ0M
• 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
Matrix metalloproteinase-10 (MMP-10)	TTXLEG7	MMP10_HUMAN	Inhibitor	[1]

References

• [1] Pseudodipeptides as MMP inhibitors. US8691753.