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
Structure
3D MOL 2D MOL
#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
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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]
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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.