Details of the Drug

General Information of Drug (ID: DM2JPX7)

• Drug Name: BRIFENTANIL
• Synonyms: Brifentanil < Rec INN; A-3331 (monohydrochloride); Rac-cis-1-[2-(4-Ethyl-4,5-dihydro-5-oxo-1H-tetrazol-1-yl)ethyl]-3-methyl-4-[N-(2-fluorophenyl)methoxyacetamido]piperidine; Rac-cis-N-[1-[2-(4-Ethyl-5-oxo-2-tetrazolin-1-yl)ethyl]-3-methyl-4-piperidyl]-2'-fluoro-2-methoxyacetanilide

Indication

Disease Entry	ICD 11	Status	REF
Pain	MG30-MG3Z	Investigative	[1]

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 420.5
  Logarithm of the Partition Coefficient (xlogp); 2.7
  Rotatable Bond Count (rotbonds); 8
  Hydrogen Bond Donor Count (hbonddonor); 0
  Hydrogen Bond Acceptor Count (hbondacc); 7
• Chemical Identifiers:
  Formula: C20H29FN6O3
  IUPAC Name: N-[(3R,4S)-1-[2-(4-ethyl-5-oxotetrazol-1-yl)ethyl]-3-methylpiperidin-4-yl]-N-(2-fluorophenyl)-2-methoxyacetamide
  Canonical SMILES: CCN1C(=O)N(N=N1)CCN2CC[C@@H]([C@@H](C2)C)N(C3=CC=CC=C3F)C(=O)COC
  InChI: InChI=1S/C20H29FN6O3/c1-4-25-20(29)26(23-22-25)12-11-24-10-9-17(15(2)13-24)27(19(28)14-30-3)18-8-6-5-7-16(18)21/h5-8,15,17H,4,9-14H2,1-3H3/t15-,17+/m1/s1
  InChIKey: KKMGCTVJCQYQPV-WBVHZDCISA-N
• Cross-matching ID:
  PubChem CID: 60672
  CAS Number: 101345-71-5
  DrugBank ID: DB09172
  TTD ID: D0H2NH

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Opioid receptor (OPR)	TTN4QDT	NOUNIPROTAC	Modulator	[1]

References

• [1] Synthesis and pharmacological evaluation of a series of new 3-methyl-1,4-disubstituted-piperidine analgesics. J Med Chem. 1990 Oct;33(10):2876-82.