Details of the Drug

General Information of Drug (ID: DMZ571Y)

• Drug Name: TG-2349
• Synonyms: HCV NS3-4A protease inhibitor, TaiGen Biotechnology

Indication

Disease Entry	ICD 11	Status	REF
Hepatitis C virus infection	1E51.1	Phase 2	[1]

• #Ro5 Violations (Lipinski): 4:
  Molecular Weight (mw); 897
  Logarithm of the Partition Coefficient (xlogp); 7.3
  Rotatable Bond Count (rotbonds); 11
  Hydrogen Bond Donor Count (hbonddonor); 3
  Hydrogen Bond Acceptor Count (hbondacc); 12
• Chemical Identifiers:
  Formula: C47H56N6O10S
  IUPAC Name: cyclopentyl N-[(1S,4R,6S,7Z,14S,18R)-4-[(1-methylcyclopropyl)sulfonylcarbamoyl]-2,15-dioxo-18-[[2-(4-propan-2-yloxyphenyl)-[1]benzofuro[3,2-d]pyrimidin-4-yl]oxy]-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-en-14-yl]carbamate
  Canonical SMILES: CC(C)OC1=CC=C(C=C1)C2=NC3=C(C(=N2)O[C@@H]4C[C@H]5C(=O)N[C@@]6(C[C@H]6/C=C\\CCCCC[C@@H](C(=O)N5C4)NC(=O)OC7CCCC7)C(=O)NS(=O)(=O)C8(CC8)C)OC9=CC=CC=C93
  InChI: InChI=1S/C47H56N6O10S/c1-28(2)60-32-21-19-29(20-22-32)40-49-38-34-16-11-12-18-37(34)63-39(38)42(50-40)61-33-25-36-41(54)51-47(44(56)52-64(58,59)46(3)23-24-46)26-30(47)13-7-5-4-6-8-17-35(43(55)53(36)27-33)48-45(57)62-31-14-9-10-15-31/h7,11-13,16,18-22,28,30-31,33,35-36H,4-6,8-10,14-15,17,23-27H2,1-3H3,(H,48,57)(H,51,54)(H,52,56)/b13-7-/t30-,33-,35+,36+,47-/m1/s1
  InChIKey: GZRNOYTVBWWFLJ-NTPALUMKSA-N
• Cross-matching ID:
  PubChem CID: 51037069
  CAS Number: 1435923-88-8
  DrugBank ID: DB12785
  TTD ID: D04ZQO

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Hepatitis C virus Serine protease NS4A (HCV NS4A)	TTRHUKY	POLG_HCV1	Modulator	[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 800034971)
• [2] Interpreting expression profiles of cancers by genome-wide survey of breadth of expression in normal tissues. Genomics 2005 Aug;86(2):127-41.