Details of the Drug

General Information of Drug (ID: DMFJ3UW)

• Drug Name: DBO-17

Indication

Disease Entry	ICD 11	Status	REF
Cancer related pain	MG30	Terminated	[1]

• Therapeutic Class: Analgesics
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 329.4
  Logarithm of the Partition Coefficient (xlogp); 2.6
  Rotatable Bond Count (rotbonds); 4
  Hydrogen Bond Donor Count (hbonddonor); 0
  Hydrogen Bond Acceptor Count (hbondacc); 4
• Chemical Identifiers:
  Formula: C18H23N3O3
  IUPAC Name: 1-[8-[(E)-3-(4-nitrophenyl)prop-2-enyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]propan-1-one
  Canonical SMILES: CCC(=O)N1CC2CCC(C1)N2C/C=C/C3=CC=C(C=C3)[N+](=O)[O-]
  InChI: InChI=1S/C18H23N3O3/c1-2-18(22)19-12-16-9-10-17(13-19)20(16)11-3-4-14-5-7-15(8-6-14)21(23)24/h3-8,16-17H,2,9-13H2,1H3/b4-3+
  InChIKey: VWJDGZDXFSHUPA-ONEGZZNKSA-N
• Cross-matching ID:
  PubChem CID: 10042211
  TTD ID: D0XH1H

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Opioid receptor mu (MOP)	TTKWM86	OPRM_HUMAN	Agonist	[2]

Molecular Expression Atlas of This Drug

• The Studied Disease: Cancer related pain
• ICD Disease Classification: MG30

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Opioid receptor mu (MOP)	DTT	OPRM1	5.94E-01	-0.02	-0.17

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 800009580)
• [2] Emerging analgesics in cancer pain management. Expert Opin Emerg Drugs. 2005 Feb;10(1):151-71.