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Ligand

NameBivalent derivative, 12e
Molecular formulaC25H35N7O7
IUPAC nameN-[5-[2-[6-[[9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]amino]hexylamino]-1-hydroxyethyl]-2-hydroxyphenyl]formamide
Molecular weight545.597
Hydrogen bond acceptor12
Hydrogen bond donor8
XlogP0.3
SynonymsN-[2-Hydroxy-5-[1-hydroxy-2-[[6-(adenosine-N-yl)hexyl]amino]ethyl]phenyl]formamide
N-[5-(2-{[6-({9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-9H-purin-6-yl}amino)hexyl]amino}-1-hydroxyethyl)-2-hydroxyphenyl]formamide
BDBM25398
CHEMBL524037
Inchi KeyRYVVFUHRFAJPCC-NDIYSDBASA-N
Inchi IDInChI=1S/C25H35N7O7/c33-11-19-21(37)22(38)25(39-19)32-13-30-20-23(28-12-29-24(20)32)27-8-4-2-1-3-7-26-10-18(36)15-5-6-17(35)16(9-15)31-14-34/h5-6,9,12-14,18-19,21-22,25-26,33,35-38H,1-4,7-8,10-11H2,(H,31,34)(H,27,28,29)/t18?,19-,21-,22-,25-/m1/s1
PubChem CID25023952
ChEMBLCHEMBL524037
IUPHARN/A
BindingDB25398
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 5 hydrogen bond donor.
This ligand has more than 10 hydrogen bond acceptor.
This ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
308405Adenosine receptor A1P30542ADORA1Homo sapiens (Human)326
308404Beta-2 adrenergic receptorP04274ADRB2Mesocricetus auratus (Golden hamster)418
461880Beta-2 adrenergic receptorP07550ADRB2Homo sapiens (Human)413

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