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Ligand

NameCHEMBL305051
Molecular formulaC25H35N3O4
IUPAC name(6R)-6-[[(2S)-3-(4-acetamidophenoxy)-2-hydroxypropyl]amino]-N-(4-methylphenyl)heptanamide
Molecular weight441.572
Hydrogen bond acceptor5
Hydrogen bond donor4
XlogP2.7
Synonyms6-[3-(4-Acetylamino-phenoxy)-2-hydroxy-propylamino]-heptanoic acid p-tolylamide(S,R)
BDBM50010564
Inchi KeyMHHCJOYFYLUHFU-XXBNENTESA-N
Inchi IDInChI=1S/C25H35N3O4/c1-18-8-10-22(11-9-18)28-25(31)7-5-4-6-19(2)26-16-23(30)17-32-24-14-12-21(13-15-24)27-20(3)29/h8-15,19,23,26,30H,4-7,16-17H2,1-3H3,(H,27,29)(H,28,31)/t19-,23+/m1/s1
PubChem CID14485407
ChEMBLCHEMBL305051
IUPHARN/A
BindingDB50010564
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: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
205435Beta-2 adrenergic receptorP18762Adrb2Mus musculus (Mouse)418

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