Details of the Drug

General Information of Drug (ID: DMPE0KD)

• Drug Name: MB-110
• Synonyms: DBPR-110; UNII-78GIB3SHQQ; 78GIB3SHQQ; 1310694-75-7; CHEMBL4468585; DBPR110; DBPR 110; SCHEMBL12547715; BDBM50522267; SB18773; Cyclopropanecarboxamide, N,N'-((1,1'-biphenyl)-4,4'-diylbis(5,2-thiazolediyl-(2S)-2,1-pyrrolidinediyl((1R)-2-oxo-1-phenyl-2,1-ethanediyl)))bis-; Q27266669; N-[(1R)-2-[(2S)-2-[5-[4-[4-[2-[(2S)-1-[(2R)-2-(cyclopropanecarbonylamino)-2-phenyl-acetyl]pyrrolidin-2-yl]thiazol-5-yl]phenyl]phenyl]thiazol-2-yl]pyrrolidin-1-yl]-2-oxo-1-phenyl-ethyl]cyclopropanecarboxamide; N-[(1R)-2-[(2S)-2-[5-[4-[4-[2-[(2S)-1-[(2R)-2-(cyclopropanecarbonylamino)-2-phenylacetyl]pyrrolidin-2-yl]-1,3-thiazol-5-yl]phenyl]phenyl]-1,3-thiazol-2-yl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl]cyclopropanecarboxamide

Indication

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

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 3:
  Molecular Weight (mw); 861.1
  Logarithm of the Partition Coefficient (xlogp); 7.6
  Rotatable Bond Count (rotbonds); 13
  Hydrogen Bond Donor Count (hbonddonor); 2
  Hydrogen Bond Acceptor Count (hbondacc); 8
• Chemical Identifiers:
  Formula: C50H48N6O4S2
  IUPAC Name: N-[(1R)-2-[(2S)-2-[5-[4-[4-[2-[(2S)-1-[(2R)-2-(cyclopropanecarbonylamino)-2-phenylacetyl]pyrrolidin-2-yl]-1,3-thiazol-5-yl]phenyl]phenyl]-1,3-thiazol-2-yl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl]cyclopropanecarboxamide
  Canonical SMILES: C1C[C@H](N(C1)C(=O)[C@@H](C2=CC=CC=C2)NC(=O)C3CC3)C4=NC=C(S4)C5=CC=C(C=C5)C6=CC=C(C=C6)C7=CN=C(S7)[C@@H]8CCCN8C(=O)[C@@H](C9=CC=CC=C9)NC(=O)C1CC1
  InChI: InChI=1S/C50H48N6O4S2/c57-45(37-23-24-37)53-43(35-9-3-1-4-10-35)49(59)55-27-7-13-39(55)47-51-29-41(61-47)33-19-15-31(16-20-33)32-17-21-34(22-18-32)42-30-52-48(62-42)40-14-8-28-56(40)50(60)44(36-11-5-2-6-12-36)54-46(58)38-25-26-38/h1-6,9-12,15-22,29-30,37-40,43-44H,7-8,13-14,23-28H2,(H,53,57)(H,54,58)/t39-,40-,43+,44+/m0/s1
  InChIKey: FZCLQOXUWMCXCV-XCIZVNRNSA-N
• Cross-matching ID:
  PubChem CID: 53247390
  CAS Number: 1310694-75-7
  TTD ID: DN18SP

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Hepatitis C virus Non-structural 5A (HCV NS5A)	TTCJ2X8	POLG_HCV1	Inhibitor	[2]

References

• [1] ClinicalTrials.gov (NCT02617615) A Trial to Evaluate Safety, Tolerability, PK and Antiviral Activity of MB-110 in Hepatitis C Virus Infected Patients. U.S. National Institutes of Health.
• [2] Clinical pipeline report, company report or official report of Microbio.