Details of the Drug

General Information of Drug (ID: DM1C5GZ)

• Drug Name: Semorphone
• Synonyms: (-)-4,5alpha-Epoxy-3,14-dihydroxy-17-(2-methoxyethyl)morphinan-6-one hydrochloride; (-)-4,5alpha-Epoxy-3,14-dihydroxy-N-(2-methoxyethyl)morphinan-6-one hydrochloride; MR-2264 (free base); MRZ-2264 (free base); N-(2-Methoxyethyl)noroxymorphone hydrochloride; Semorphone hydrochloride

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 345.4
  Logarithm of the Partition Coefficient (xlogp); 1
  Rotatable Bond Count (rotbonds); 3
  Hydrogen Bond Donor Count (hbonddonor); 2
  Hydrogen Bond Acceptor Count (hbondacc); 6
• Chemical Identifiers:
  Formula: C19H23NO5
  IUPAC Name: (4R,4aS,7aR,12bS)-4a,9-dihydroxy-3-(2-methoxyethyl)-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one
  Canonical SMILES: COCCN1CC[C@]23[C@@H]4C(=O)CC[C@]2([C@H]1CC5=C3C(=C(C=C5)O)O4)O
  InChI: InChI=1S/C19H23NO5/c1-24-9-8-20-7-6-18-15-11-2-3-12(21)16(15)25-17(18)13(22)4-5-19(18,23)14(20)10-11/h2-3,14,17,21,23H,4-10H2,1H3/t14-,17+,18+,19-/m1/s1
  InChIKey: PBGIBLLOMGURPS-GRGSLBFTSA-N
• Cross-matching ID:
  PubChem CID: 5491906
  CAS Number: 9-40-6
  TTD ID: D09MXM

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	Modulator	[1]

Molecular Expression Atlas of This Drug

• The Studied Disease: Discovery agent
• ICD Disease Classification: N.A.

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] Respiratory effects and tolerability of Mr 2264 Cl.A new opiate partial agonist in comparison with morphine and placebo.Eur J Clin Pharmacol.1994;46(4):301-4.