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Ligand

NameCHEMBL1257914
Molecular formulaC26H28N4O3S
IUPAC name4-[2-hydroxy-3-[[1-(5-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]amino]propoxy]phenol
Molecular weight476.595
Hydrogen bond acceptor8
Hydrogen bond donor3
XlogP4.5
SynonymsAXDLDTSPXTUODG-UHFFFAOYSA-N
4-(2-hydroxy-3-(1-(5-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-ylamino)propoxy)phenol
BDBM50328335
SCHEMBL4435801
Inchi KeyAXDLDTSPXTUODG-UHFFFAOYSA-N
Inchi IDInChI=1S/C26H28N4O3S/c31-20-6-8-22(9-7-20)33-15-21(32)14-27-19-10-12-30(13-11-19)25-24-23(18-4-2-1-3-5-18)16-34-26(24)29-17-28-25/h1-9,16-17,19,21,27,31-32H,10-15H2
PubChem CID24936489
ChEMBLCHEMBL1257914
IUPHARN/A
BindingDB50328335
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
16580Beta-1 adrenergic receptorP08588ADRB1Homo sapiens (Human)477
16581Beta-2 adrenergic receptorP07550ADRB2Homo sapiens (Human)413
16579Beta-3 adrenergic receptorP13945ADRB3Homo sapiens (Human)408

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