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Ligand

NameCHEMBL1083053
Molecular formulaC30H35N3O4
IUPAC name2-[2-[4-[2-hydroxy-3-(2-propan-2-ylphenoxy)propyl]piperazin-1-yl]ethyl]benzo[de]isoquinoline-1,3-dione
Molecular weight501.627
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP4.2
Synonyms2-(2-(4-(2-hydroxy-3-(2-isopropylphenoxy)propyl)piperazin-1-yl)ethyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione
2-(2-{4-[2-hydroxy-3-(2-isopropylphenoxy)propyl]piperazin-1-yl}ethyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione
AC1NPYJZ
MolPort-003-060-132
BDBM50319002
[ Show all ]
Inchi KeyANJWGYQQGXYHGI-UHFFFAOYSA-N
Inchi IDInChI=1S/C30H35N3O4/c1-21(2)24-9-3-4-12-27(24)37-20-23(34)19-32-15-13-31(14-16-32)17-18-33-29(35)25-10-5-7-22-8-6-11-26(28(22)25)30(33)36/h3-12,21,23,34H,13-20H2,1-2H3
PubChem CID5187268
ChEMBLCHEMBL1083053
IUPHARN/A
BindingDB50319002
DrugBankN/A

Structure

SDF download

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

Known GPCRs

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Total entries: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
9622Beta-1 adrenergic receptorP08588ADRB1Homo sapiens (Human)477
9624Beta-2 adrenergic receptorP07550ADRB2Homo sapiens (Human)413
9623Beta-3 adrenergic receptorP13945ADRB3Homo sapiens (Human)408

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