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Ligand

NameCHEMBL482627
Molecular formulaC27H27ClN2O5
IUPAC name5-[3-[2-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]ethyl]phenoxy]-2-(2-oxopyrrolidin-1-yl)benzoic acid
Molecular weight494.972
Hydrogen bond acceptor6
Hydrogen bond donor3
XlogP1.4
SynonymsBDBM50264587
(R)-5-(3-(2-(2-(3-chlorophenyl)-2-hydroxyethylamino)ethyl)phenoxy)-2-(2-oxopyrrolidin-1-yl)benzoic acid
Inchi KeyJQIVPXQYQMWJIR-VWLOTQADSA-N
Inchi IDInChI=1S/C27H27ClN2O5/c28-20-6-2-5-19(15-20)25(31)17-29-12-11-18-4-1-7-21(14-18)35-22-9-10-24(23(16-22)27(33)34)30-13-3-8-26(30)32/h1-2,4-7,9-10,14-16,25,29,31H,3,8,11-13,17H2,(H,33,34)/t25-/m0/s1
PubChem CID44579941
ChEMBLCHEMBL482627
IUPHARN/A
BindingDB50264587
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

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Total entries: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
157322Beta-1 adrenergic receptorP08588ADRB1Homo sapiens (Human)477
157320Beta-3 adrenergic receptorO02662ADRB3Canis lupus familiaris (Dog)405
157321Beta-3 adrenergic receptorP13945ADRB3Homo sapiens (Human)408

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