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Ligand

NameCHEMBL576341
Molecular formulaC28H39N3O6S2
IUPAC nameN-cyclobutyl-1-[2-[1-(2,4-dimethoxyphenyl)sulfonyl-3,4-dihydro-2H-quinolin-2-yl]ethylsulfonyl]piperidin-4-amine
Molecular weight577.755
Hydrogen bond acceptor9
Hydrogen bond donor1
XlogP3.7
SynonymsBDBM50299340
N-cyclobutyl-1-(2-(1-(2,4-dimethoxyphenylsulfonyl)-1,2,3,4-tetrahydroquinolin-2-yl)ethylsulfonyl)piperidin-4-amine
Inchi KeyYLVPPCIRFCDKTO-UHFFFAOYSA-N
Inchi IDInChI=1S/C28H39N3O6S2/c1-36-25-12-13-28(27(20-25)37-2)39(34,35)31-24(11-10-21-6-3-4-9-26(21)31)16-19-38(32,33)30-17-14-23(15-18-30)29-22-7-5-8-22/h3-4,6,9,12-13,20,22-24,29H,5,7-8,10-11,14-19H2,1-2H3
PubChem CID45483202
ChEMBLCHEMBL576341
IUPHARN/A
BindingDB50299340
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
413299Vasopressin V1a receptorP37288AVPR1AHomo sapiens (Human)418
413300Vasopressin V1b receptorP48974Avpr1bRattus norvegicus (Rat)425
413301Vasopressin V1b receptorP47901AVPR1BHomo sapiens (Human)424

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