Details of the Drug

General Information of Drug (ID: DMLFGHX)

• Drug Name: BRL 35135
• Synonyms: Brl35135A; BRL 35135; Methyl 4-(2-(2-hydroxy-2-(3-chlorophenyl)ethylamino)propyl)phenoxyacetate; Brl-35135; 91097-81-3; C20H24ClNO4; Acetic acid, (4-(2-((2-(3-chlorophenyl)-2-hydroxyethyl)amino)propyl)phenoxy)-, methyl ester; AC1Q3M3M; AC1L3U5A; CHEMBL49289; SCHEMBL4611391; CTK5G8940; ZFLBZHXQAMUEFS-UHFFFAOYSA-N; LS-178136; L003499; methyl 4-[2-[(3-chloro-beta-hydroxyphenethyl) amino]propyl]phenoxyacetate; [4-[2-[[2-(3-Chlorophenyl)-2-hydroxyethyl]amino]propyl]phenoxy]acetic acid methyl ester; methyl 2-[4-[2-[[2-(3-chloroph

Indication

Disease Entry	ICD 11	Status	REF
Diabetic complication	5A2Y	Phase 2	[1]

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 377.9
  Logarithm of the Partition Coefficient (xlogp); 3.6
  Rotatable Bond Count (rotbonds); 10
  Hydrogen Bond Donor Count (hbonddonor); 2
  Hydrogen Bond Acceptor Count (hbondacc); 5
• Chemical Identifiers:
  Formula: C20H24ClNO4
  IUPAC Name: methyl 2-[4-[2-[[2-(3-chlorophenyl)-2-hydroxyethyl]amino]propyl]phenoxy]acetate
  Canonical SMILES: CC(CC1=CC=C(C=C1)OCC(=O)OC)NCC(C2=CC(=CC=C2)Cl)O
  InChI: InChI=1S/C20H24ClNO4/c1-14(22-12-19(23)16-4-3-5-17(21)11-16)10-15-6-8-18(9-7-15)26-13-20(24)25-2/h3-9,11,14,19,22-23H,10,12-13H2,1-2H3
  InChIKey: ZFLBZHXQAMUEFS-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 122186
  CAS Number: 91097-81-3
  TTD ID: D05NZV

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Adrenergic receptor beta-1 (ADRB1)	TTR6W5O	ADRB1_HUMAN	Agonist	[2]

References

• [1] Acute effects of the beta 3-adrenoceptor agonist, BRL 35135, on tissue glucose utilisation. Br J Pharmacol. 1995 Feb;114(4):888-94.
• [2] Clinical pharmacology of beta 3-adrenoceptors. Br J Clin Pharmacol. 1996 Sep;42(3):291-300.