Details of the Drug

General Information of Drug (ID: DMGFPIY)

• Drug Name: UK-156406
• Synonyms: 1-[3-(3-Amidinophenyl)-2(S)-(2-methyl-1,2,3,4-tetrahydroisoquinolin-7-ylsulfonamido)propionyl]-4-methyl-1,2,3,6-tetrahydropyridine-2(R)-carboxylic acid; 1-[3-Amidino-N-(2-methyl-1,2,3,4-tetrahydroisoquinolin-7-ylsulfonyl)-L-phenylalanyl]-4-methyl-1,2,3,6-tetrahydropyridine-2(R)-carboxylic acid

Indication

Disease Entry	ICD 11	Status	REF
Myocardial infarction	BA41-BA43	Discontinued in Phase 1	[1]

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 1:
  Molecular Weight (mw); 539.6
  Logarithm of the Partition Coefficient (xlogp); -0.8
  Rotatable Bond Count (rotbonds); 8
  Hydrogen Bond Donor Count (hbonddonor); 4
  Hydrogen Bond Acceptor Count (hbondacc); 8
• Chemical Identifiers:
  Formula: C27H33N5O5S
  IUPAC Name: (2R)-1-[(2S)-3-(4-carbamimidoylphenyl)-2-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)sulfonylamino]propanoyl]-4-methyl-3,6-dihydro-2H-pyridine-2-carboxylic acid
  Canonical SMILES: CC1=CCN([C@H](C1)C(=O)O)C(=O)[C@H](CC2=CC=C(C=C2)C(=N)N)NS(=O)(=O)C3=CC4=C(CCN(C4)C)C=C3
  InChI: InChI=1S/C27H33N5O5S/c1-17-9-12-32(24(13-17)27(34)35)26(33)23(14-18-3-5-20(6-4-18)25(28)29)30-38(36,37)22-8-7-19-10-11-31(2)16-21(19)15-22/h3-9,15,23-24,30H,10-14,16H2,1-2H3,(H3,28,29)(H,34,35)/t23-,24+/m0/s1
  InChIKey: ZDHBBBQAVLNJBL-BJKOFHAPSA-N
• Cross-matching ID:
  PubChem CID: 44342278
  ChEBI ID: CHEMBL430526
  TTD ID: D0G0XN
• 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
Coagulation factor IIa (F2)	TT6L509	THRB_HUMAN	Inhibitor	[2]

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 800010067)
• [2] Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health & Human Services. 2015