Details of the Drug

General Information of Drug (ID: DMY7KHW)

• Drug Name: SC-49992
• Synonyms: (8-Guanidinooctanoyl)-L-aspartyl-L-phenylalanine

Indication

Disease Entry	ICD 11	Status	REF
Arterial thrombosis	DB61-DD30	Terminated	[1]

• #Ro5 Violations (Lipinski): 2:
  Molecular Weight (mw); 463.5
  Logarithm of the Partition Coefficient (xlogp); 0.7
  Rotatable Bond Count (rotbonds); 16
  Hydrogen Bond Donor Count (hbonddonor); 6
  Hydrogen Bond Acceptor Count (hbondacc); 7
• Chemical Identifiers:
  Formula: C22H33N5O6
  IUPAC Name: (3S)-4-[[(1S)-1-carboxy-2-phenylethyl]amino]-3-[8-(diaminomethylideneamino)octanoylamino]-4-oxobutanoic acid
  Canonical SMILES: C1=CC=C(C=C1)C[C@@H](C(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)CCCCCCCN=C(N)N
  InChI: InChI=1S/C22H33N5O6/c23-22(24)25-12-8-3-1-2-7-11-18(28)26-16(14-19(29)30)20(31)27-17(21(32)33)13-15-9-5-4-6-10-15/h4-6,9-10,16-17H,1-3,7-8,11-14H2,(H,26,28)(H,27,31)(H,29,30)(H,32,33)(H4,23,24,25)/t16-,17-/m0/s1
  InChIKey: PLSJXKVBQIPFJY-IRXDYDNUSA-N
• Cross-matching ID:
  PubChem CID: 9804438
  ChEBI ID: CHEMBL1161274
  TTD ID: D0Z9LD
• 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
Glycoprotein IIb/IIIa receptor (GPIIb/IIIa)	TT38RM1	ITA2B_HUMAN ; ITB3_HUMAN	Modulator	[2]

Molecular Expression Atlas of This Drug

• The Studied Disease: Arterial thrombosis
• ICD Disease Classification: DB61-DD30

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Glycoprotein IIb/IIIa receptor (GPIIb/IIIa)	DTT	ITGA2B; ITGB3	7.83E-01	-0.11	-0.45

References

• [1] Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800001873)
• [2] SC-49992--a potent and specific inhibitor of platelet aggregation. Thromb Res. 1994 Jun 1;74(5):523-35.