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Ligand

NameBivalent derivative, 18
Molecular formulaC25H35N7O9
IUPAC nameN-[5-[2-[2-[2-[2-[[9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]amino]ethoxy]ethoxy]ethylamino]-1-hydroxyethyl]-2-hydroxyphenyl]formamide
Molecular weight577.595
Hydrogen bond acceptor14
Hydrogen bond donor8
XlogP-1.4
SynonymsCHEMBL493489
N-[5-(1-{9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-9H-purin-6-yl}-12-hydroxy-4,7-dioxa-1,10-diazadodecan-12-yl)-2-hydroxyphenyl]formamide
BDBM25399
Inchi KeyWOQFITNYMZQCRI-NDIYSDBASA-N
Inchi IDInChI=1S/C25H35N7O9/c33-11-19-21(37)22(38)25(41-19)32-13-30-20-23(28-12-29-24(20)32)27-4-6-40-8-7-39-5-3-26-10-18(36)15-1-2-17(35)16(9-15)31-14-34/h1-2,9,12-14,18-19,21-22,25-26,33,35-38H,3-8,10-11H2,(H,31,34)(H,27,28,29)/t18?,19-,21-,22-,25-/m1/s1
PubChem CID25023953
ChEMBLCHEMBL493489
IUPHARN/A
BindingDB25399
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
378542Adenosine receptor A1P30542ADORA1Homo sapiens (Human)326
378541Beta-2 adrenergic receptorP04274ADRB2Mesocricetus auratus (Golden hamster)418
462464Beta-2 adrenergic receptorP07550ADRB2Homo sapiens (Human)413

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