Details of the Drug

General Information of Drug (ID: DM563NC)

• Drug Name: Fasitibant chloride
• Synonyms: MEN-16132; Bradykinin B2 antagonist (inflammation), Menarini; MEN-11270 analogs, Menarini

Indication

Disease Entry	ICD 11	Status	REF
Osteoarthritis	FA00-FA05	Phase 2	[1]

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 2:
  Molecular Weight; 800.2
  Logarithm of the Partition Coefficient; Not Available
  Rotatable Bond Count; 12
  Hydrogen Bond Donor Count; 2
  Hydrogen Bond Acceptor Count; 10
• Chemical Identifiers:
  Formula: C36H49Cl3N6O6S
  IUPAC Name: [(4S)-4-amino-5-[4-[4-[[2,4-dichloro-3-[(2,4-dimethylquinolin-8-yl)oxymethyl]phenyl]sulfonylamino]oxane-4-carbonyl]piperazin-1-yl]-5-oxopentyl]-trimethylazanium;chloride
  Canonical SMILES: CC1=CC(=NC2=C1C=CC=C2OCC3=C(C=CC(=C3Cl)S(=O)(=O)NC4(CCOCC4)C(=O)N5CCN(CC5)C(=O)[C@H](CCC[N+](C)(C)C)N)Cl)C.[Cl-]
  InChI: InChI=1S/C36H49Cl2N6O6S.ClH/c1-24-22-25(2)40-33-26(24)8-6-10-30(33)50-23-27-28(37)11-12-31(32(27)38)51(47,48)41-36(13-20-49-21-14-36)35(46)43-17-15-42(16-18-43)34(45)29(39)9-7-19-44(3,4)5;/h6,8,10-12,22,29,41H,7,9,13-21,23,39H2,1-5H3;1H/q+1;/p-1/t29-;/m0./s1
  InChIKey: ZNHJDJYKDVGQSH-JMAPEOGHSA-M
• Cross-matching ID:
  PubChem CID: 11535140
  TTD ID: D05ENJ

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
B2 bradykinin receptor (BDKRB2)	TTGY8IW	BKRB2_HUMAN	Antagonist	[2]

Molecular Expression Atlas of This Drug

• The Studied Disease: Osteoarthritis
• ICD Disease Classification: FA00-FA05

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
B2 bradykinin receptor (BDKRB2)	DTT	BDKRB2	6.64E-04	-0.24	-0.54

References

• [1] ClinicalTrials.gov (NCT01091116) A Locally Injected Bradykinin Antagonist for TReatment of OSteoarthritiS. U.S. National Institutes of Health.
• [2] Fasitibant chloride, a kinin B receptor antagonist, and dexamethasone interact to inhibit carrageenan-induced inflammatory arthritis in rats. Br J Pharmacol. 2012 Jun;166(4):1403-10.