Details of the Drug

General Information of Drug (ID: DMW1FT0)

• Drug Name: ORG-9273
• Synonyms: 1-[(2beta,3alpha,5alpha,16beta,17beta)-17-Acetoxy-3-hydroxy-2-morpholinoandrostan-16-yl]-1-methylpiperidinium bromide; 17beta-Acetoxy-3alpha-hydroxy-16beta-(1-methylhexahydropyridinio-1-yl)-2beta-morpholino-5alpha-androstane bromide

Indication

Disease Entry	ICD 11	Status	REF
Paralysis	8B60	Discontinued in Phase 2	[1]

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 1:
  Molecular Weight (mw); 517.799
  Logarithm of the Partition Coefficient (xlogp); 4.7
  Rotatable Bond Count (rotbonds); 4
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 5
• Chemical Identifiers:
  Formula: C31H53N2O4+
  IUPAC Name: [(2S,3S,5S,10S,13S,16S,17R)-3-hydroxy-10,13-dimethyl-16-(1-methylpiperidin-1-ium-1-yl)-2-morpholin-4-yl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl] acetate
  Canonical SMILES: CC(=O)O[C@H]1[C@H](CC2[C@@]1(CCC3C2CC[C@@H]4[C@@]3(C[C@@H]([C@H](C4)O)N5CCOCC5)C)C)[N+]6(CCCCC6)C
  InChI: InChI=1S/C31H53N2O4/c1-21(34)37-29-27(33(4)14-6-5-7-15-33)19-25-23-9-8-22-18-28(35)26(32-12-16-36-17-13-32)20-31(22,3)24(23)10-11-30(25,29)2/h22-29,35H,5-20H2,1-4H3/q+1/t22-,23?,24?,25?,26-,27-,28-,29-,30-,31-/m0/s1
  InChIKey: DHYOZTTVCWLBTR-JHKQNVCFSA-N
• Cross-matching ID:
  PubChem CID: 131901
  CAS Number: 135644-85-8
  TTD ID: D0C2HR

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Nicotinic acetylcholine receptor (nAChR)	TTJSZTB	NOUNIPROTAC	Modulator	[1]

References

• [1] Dose-response relation, neuromuscular blocking action, intubation conditions, and cardiovascular effects of Org 9273, a new neuromuscular blocking agent. Anesth Analg. 1991 Jun;72(6):811-6.