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Ligand

NameCHEMBL488224
Molecular formulaC28H32N2O4
IUPAC name2-cyclohexyloxy-4-[4-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]phenyl]benzoic acid
Molecular weight460.574
Hydrogen bond acceptor6
Hydrogen bond donor3
XlogP2.2
Synonyms(R)-3-(cyclohexyloxy)-4''-(2-(2-hydroxy-2-(pyridin-3-yl)ethylamino)ethyl)biphenyl-4-carboxylic acid
BDBM50243112
3-(Cyclohexyloxy)-4-(2-{[(2R)-2-hydroxy-2-(3-pyridinyl)ethyl]amino}-ethyl)-4-biphenylcarboxylic acid
Inchi KeyWHYGWEJJAHPBQA-SANMLTNESA-N
Inchi IDInChI=1S/C28H32N2O4/c31-26(23-5-4-15-29-18-23)19-30-16-14-20-8-10-21(11-9-20)22-12-13-25(28(32)33)27(17-22)34-24-6-2-1-3-7-24/h4-5,8-13,15,17-18,24,26,30-31H,1-3,6-7,14,16,19H2,(H,32,33)/t26-/m0/s1
PubChem CID24893964
ChEMBLCHEMBL488224
IUPHARN/A
BindingDB50243112
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: 4
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
373795Beta-1 adrenergic receptorP08588ADRB1Homo sapiens (Human)477
373793Beta-2 adrenergic receptorP07550ADRB2Homo sapiens (Human)413
373792Beta-3 adrenergic receptorO02662ADRB3Canis lupus familiaris (Dog)405
373794Beta-3 adrenergic receptorP13945ADRB3Homo sapiens (Human)408

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