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Ligand

NameCHEMBL577599
Molecular formulaC27H32ClN3O2S2
IUPAC name1-[2-[1-(4-chlorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-2-yl]ethyl]-N-(thiophen-2-ylmethyl)piperidin-4-amine
Molecular weight530.142
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP5.4
SynonymsBDBM50299338
1-(2-(1-(4-chlorophenylsulfonyl)-1,2,3,4-tetrahydroquinolin-2-yl)ethyl)-N-(thiophen-2-ylmethyl)piperidin-4-amine
Inchi KeyYWKPGWQHNFOGPP-UHFFFAOYSA-N
Inchi IDInChI=1S/C27H32ClN3O2S2/c28-22-8-11-26(12-9-22)35(32,33)31-24(10-7-21-4-1-2-6-27(21)31)15-18-30-16-13-23(14-17-30)29-20-25-5-3-19-34-25/h1-6,8-9,11-12,19,23-24,29H,7,10,13-18,20H2
PubChem CID45483247
ChEMBLCHEMBL577599
IUPHARN/A
BindingDB50299338
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
This ligand has a partition coefficient log P greater than 5.

Known GPCRs

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Total entries: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
420913Vasopressin V1a receptorP37288AVPR1AHomo sapiens (Human)418
420912Vasopressin V1b receptorP48974Avpr1bRattus norvegicus (Rat)425
420914Vasopressin V1b receptorP47901AVPR1BHomo sapiens (Human)424

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