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Ligand

NameCHEMBL575359
Molecular formulaC27H30ClN3O3S2
IUPAC name2-[1-(4-chlorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-2-yl]-1-[4-(thiophen-2-ylmethylamino)piperidin-1-yl]ethanone
Molecular weight544.125
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP4.5
SynonymsBDBM50299335
2-(1-(4-chlorophenylsulfonyl)-1,2,3,4-tetrahydroquinolin-2-yl)-1-(4-(thiophen-2-ylmethylamino)piperidin-1-yl)ethanone
Inchi KeyBWUVASHCJZBOKE-UHFFFAOYSA-N
Inchi IDInChI=1S/C27H30ClN3O3S2/c28-21-8-11-25(12-9-21)36(33,34)31-23(10-7-20-4-1-2-6-26(20)31)18-27(32)30-15-13-22(14-16-30)29-19-24-5-3-17-35-24/h1-6,8-9,11-12,17,22-23,29H,7,10,13-16,18-19H2
PubChem CID45483320
ChEMBLCHEMBL575359
IUPHARN/A
BindingDB50299335
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
34743Vasopressin V1a receptorP37288AVPR1AHomo sapiens (Human)418
34744Vasopressin V1b receptorP48974Avpr1bRattus norvegicus (Rat)425
34745Vasopressin V1b receptorP47901AVPR1BHomo sapiens (Human)424

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