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Ligand

NameCHEMBL1951066
Molecular formulaC29H38N4O6
IUPAC nameN-[5-[2-[4-[4-(3,4-dimethoxyphenyl)-1-oxo-4a,5,6,7,8,8a-hexahydrophthalazin-2-yl]butylamino]-1-hydroxyethyl]-2-hydroxyphenyl]formamide
Molecular weight538.645
Hydrogen bond acceptor8
Hydrogen bond donor4
XlogP2.7
SynonymsBDBM50365057
Inchi KeyCYDUYTLCMWZTJY-UHFFFAOYSA-N
Inchi IDInChI=1S/C29H38N4O6/c1-38-26-12-10-20(16-27(26)39-2)28-21-7-3-4-8-22(21)29(37)33(32-28)14-6-5-13-30-17-25(36)19-9-11-24(35)23(15-19)31-18-34/h9-12,15-16,18,21-22,25,30,35-36H,3-8,13-14,17H2,1-2H3,(H,31,34)
PubChem CID57401201
ChEMBLCHEMBL1951066
IUPHARN/A
BindingDB50365057
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
53403Beta-2 adrenergic receptorQ8K4Z4Adrb2Cavia porcellus (Guinea pig)418

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