Details of the Drug

General Information of Drug (ID: DMO8PN9)

• Drug Name: OBERADILOL MONOETHYL MALEATE
• Synonyms: TZC-5665; Oberadilol monoethyl maleate; Rac-6-[4-[2-[3-(5-Chloro-2-cyanophenoxy)-2-hydroxypropylamino]-2-methylpropylamino]phenyl]-4,5-dihydro-5-methyl-3(2H)-pyridazinone monoethylmaleate; Rac-6-[4-[2-[3-(5-Chloro-2-cyanophenoxy)-2-hydroxy-propylamino]-2-methylpropylamino]phenyl]-5-methyl-2,3,4,5-tetrahydropyridazin-3-one maleic acid monoethyl ester; Rac-4-Chloro-2-[3-[[1,1-dimethyl-2-[[4-(1,4,5,6-tetrahydro-4-methyl-6-oxo-3-pyridazinyl)phenyl]amino]ethyl]amino]-2-hydroxypropoxy]benzonitrile mono[ethyl 2(Z)-butenedioate]

Indication

Disease Entry	ICD 11	Status	REF
Hypertension	BA00-BA04	Discontinued in Phase 2	[1]

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 484
  Logarithm of the Partition Coefficient (xlogp); 3.1
  Rotatable Bond Count (rotbonds); 10
  Hydrogen Bond Donor Count (hbonddonor); 4
  Hydrogen Bond Acceptor Count (hbondacc); 7
• Chemical Identifiers:
  Formula: C25H30ClN5O3
  IUPAC Name: 4-chloro-2-[2-hydroxy-3-[[2-methyl-1-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)anilino]propan-2-yl]amino]propoxy]benzonitrile
  Canonical SMILES: CC1CC(=O)NN=C1C2=CC=C(C=C2)NCC(C)(C)NCC(COC3=C(C=CC(=C3)Cl)C#N)O
  InChI: InChI=1S/C25H30ClN5O3/c1-16-10-23(33)30-31-24(16)17-5-8-20(9-6-17)28-15-25(2,3)29-13-21(32)14-34-22-11-19(26)7-4-18(22)12-27/h4-9,11,16,21,28-29,32H,10,13-15H2,1-3H3,(H,30,33)
  InChIKey: SHAJOALCPZUGLR-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 3047798
  CAS Number: 114856-44-9
  TTD ID: D02ZEM
• Drug ADMET Endpoint Profile (DAE)NEW: Click to Jump to the Detailed DAE Information of This Drug

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	Modulator	[2]

Molecular Expression Atlas of This Drug

• The Studied Disease: Hypertension
• ICD Disease Classification: BA00-BA04

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] Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800002312)
• [2] US patent application no. 9,062,094, Dipeptide-based prodrug linkers for aliphatic amine-containing drugs.