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
  TTD ID: D0Z9LD

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.