Details of the Drug

General Information of Drug (ID: DM2CDLS)

• Drug Name: QLT-091568
• Synonyms: OT-730; Beta adrenoceptor antagonist prodrug (glaucoma/ocular hypertension), Othera

Indication

Disease Entry	ICD 11	Status	REF
Glaucoma/ocular hypertension	9C61	Phase 1/2	[1]

• #Ro5 Violations (Lipinski): 1:
  Molecular Weight (mw); 492.6
  Logarithm of the Partition Coefficient (xlogp); 1.7
  Rotatable Bond Count (rotbonds); 13
  Hydrogen Bond Donor Count (hbonddonor); 4
  Hydrogen Bond Acceptor Count (hbondacc); 9
• Chemical Identifiers:
  Formula: C25H36N2O8
  IUPAC Name: [(2S)-2-(1-methylcyclopropanecarbonyl)oxy-3-[[2-methyl-1-(oxolane-3-carbonylamino)propan-2-yl]amino]propyl] 4,5-dihydroxy-2-methylbenzoate
  Canonical SMILES: CC1=CC(=C(C=C1C(=O)OC[C@H](CNC(C)(C)CNC(=O)C2CCOC2)OC(=O)C3(CC3)C)O)O
  InChI: InChI=1S/C25H36N2O8/c1-15-9-19(28)20(29)10-18(15)22(31)34-13-17(35-23(32)25(4)6-7-25)11-27-24(2,3)14-26-21(30)16-5-8-33-12-16/h9-10,16-17,27-29H,5-8,11-14H2,1-4H3,(H,26,30)/t16?,17-/m0/s1
  InChIKey: ANXXSWNMHQHOQC-DJNXLDHESA-N
• Cross-matching ID:
  PubChem CID: 11554979
  CAS Number: 870809-51-1
  TTD ID: D0W3UH

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Adrenergic receptor beta-3 (ADRB3)	TTMXGCW	ADRB3_HUMAN	Antagonist	[2]

Molecular Expression Atlas of This Drug

• The Studied Disease: Glaucoma/ocular hypertension
• ICD Disease Classification: 9C61

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Adrenergic receptor beta-3 (ADRB3)	DTT	ADRB3	7.81E-01	0.02	0.16

References

• [1] ClinicalTrials.gov (NCT00753168) Phase 1-2 Evaluation of OT-730 Eye Drops in Reducing the Intraocular Pressure in Patients With Ocular Hypertension or Open-Angle Glaucoma. U.S. National Institutes ofHealth.
• [2] Clinical pipeline report, company report or official report of QLT Inc.