Details of the Drug

General Information of Drug (ID: DMB3ZTI)

• Drug Name: L-709780
• Synonyms: CHEMBL32960; L-709780; BDBM50078448; l709780; N-[2-[2-(4-Piperidinyl)ethyl]-3-oxoisoindoline-5-ylcarbonyl]-beta-alanine; 3-{[3-Oxo-2-(2-piperidin-4-yl-ethyl)-2,3-dihydro-1H-isoindole-5-carbonyl]-amino}-propionic acid(L-709780); 3-{[3-Oxo-2-(2-piperidin-4-yl-ethyl)-2,3-dihydro-1H-isoindole-5-carbonyl]-amino}-propionic acid
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 359.4
  Logarithm of the Partition Coefficient (xlogp); -1.9
  Rotatable Bond Count (rotbonds); 7
  Hydrogen Bond Donor Count (hbonddonor); 3
  Hydrogen Bond Acceptor Count (hbondacc); 5
• Chemical Identifiers:
  Formula: C19H25N3O4
  IUPAC Name: 3-[[3-oxo-2-(2-piperidin-4-ylethyl)-1H-isoindole-5-carbonyl]amino]propanoic acid
  Canonical SMILES: C1CNCCC1CCN2CC3=C(C2=O)C=C(C=C3)C(=O)NCCC(=O)O
  InChI: InChI=1S/C19H25N3O4/c23-17(24)5-9-21-18(25)14-1-2-15-12-22(19(26)16(15)11-14)10-6-13-3-7-20-8-4-13/h1-2,11,13,20H,3-10,12H2,(H,21,25)(H,23,24)
  InChIKey: YAAYYZAARZCUQN-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 9885190
  TTD ID: D03GCN

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
ITGB3 messenger RNA (ITGB3 mRNA)	TTJA1ZO	ITB3_HUMAN	Inhibitor	[1]

Molecular Expression Atlas of This Drug

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
ITGB3 messenger RNA (ITGB3 mRNA)	DTT	ITGB3	6.94E-01	-0.02	-0.17

References

• [1] Non-peptide fibrinogen receptor antagonists. 3. design and discovery of a centrally constrained inhibitorc, Bioorg. Med. Chem. Lett. 4(15):1835-1840 (1994).