Details of the Drug

General Information of Drug (ID: DMGNUXC)

• Drug Name: DMP-757
• Synonyms: CHEMBL65617; DMP-757; BDBM50285199; [(5S,11S,14S)-11-(3-Guanidino-propyl)-14-isopropyl-12-methyl-4,7,10,13,16-pentaoxo-3,6,9,12,15-pentaaza-bicyclo[15.3.1]henicosa-1(20),17(21),18-trien-5-yl]-acetic acid
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 2:
  Molecular Weight (mw); 574.6
  Logarithm of the Partition Coefficient (xlogp); -1.6
  Rotatable Bond Count (rotbonds); 7
  Hydrogen Bond Donor Count (hbonddonor); 7
  Hydrogen Bond Acceptor Count (hbondacc); 8
• Chemical Identifiers:
  Formula: C26H38N8O7
  IUPAC Name: 2-[(5S,11S,14S)-11-[3-(diaminomethylideneamino)propyl]-12-methyl-4,7,10,13,16-pentaoxo-14-propan-2-yl-3,6,9,12,15-pentazabicyclo[15.3.1]henicosa-1(21),17,19-trien-5-yl]acetic acid
  Canonical SMILES: CC(C)[C@H]1C(=O)N([C@H](C(=O)NCC(=O)N[C@H](C(=O)NCC2=CC(=CC=C2)C(=O)N1)CC(=O)O)CCCN=C(N)N)C
  InChI: InChI=1S/C26H38N8O7/c1-14(2)21-25(41)34(3)18(8-5-9-29-26(27)28)24(40)31-13-19(35)32-17(11-20(36)37)23(39)30-12-15-6-4-7-16(10-15)22(38)33-21/h4,6-7,10,14,17-18,21H,5,8-9,11-13H2,1-3H3,(H,30,39)(H,31,40)(H,32,35)(H,33,38)(H,36,37)(H4,27,28,29)/t17-,18-,21-/m0/s1
  InChIKey: TZZMWRLTTWMKCL-WFXMLNOXSA-N
• Cross-matching ID:
  PubChem CID: 10031011
  TTD ID: D0U4ZY

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] Synthesis and antiplatelet activity of DMP 757 analogs, Bioorg. Med. Chem. Lett. 5(18):2097-2100 (1995).