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Ligand

NameCHEMBL1258259
Molecular formulaC27H30N4O3S
IUPAC name4-[2-hydroxy-3-[[1-(5-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]amino]propoxy]phenol
Molecular weight490.622
Hydrogen bond acceptor8
Hydrogen bond donor3
XlogP4.9
SynonymsBDBM50328290
4-(2-hydroxy-3-(1-(5-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-ylamino)propoxy)phenol
BHBSSMZKXOFWQY-UHFFFAOYSA-N
SCHEMBL4553748
Inchi KeyBHBSSMZKXOFWQY-UHFFFAOYSA-N
Inchi IDInChI=1S/C27H30N4O3S/c1-18-24-26(29-17-30-27(24)35-25(18)19-5-3-2-4-6-19)31-13-11-20(12-14-31)28-15-22(33)16-34-23-9-7-21(32)8-10-23/h2-10,17,20,22,28,32-33H,11-16H2,1H3
PubChem CID24937390
ChEMBLCHEMBL1258259
IUPHARN/A
BindingDB50328290
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: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
23603Beta-1 adrenergic receptorP08588ADRB1Homo sapiens (Human)477
23605Beta-2 adrenergic receptorP07550ADRB2Homo sapiens (Human)413
23604Beta-3 adrenergic receptorP13945ADRB3Homo sapiens (Human)408

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