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Ligand

NameSCHEMBL246621
Molecular formulaC29H29N5O3S
IUPAC name3-[[3,5-dicyano-4-[4-(2-hydroxyethoxy)phenyl]-6-pyrrolidin-1-ylpyridin-2-yl]sulfanylmethyl]-N-ethylbenzamide
Molecular weight527.643
Hydrogen bond acceptor8
Hydrogen bond donor2
XlogP4.1
SynonymsCHEMBL3913385
BDBM191870
US9187428, 98
Inchi KeyAFDZAPUKPRXNJZ-UHFFFAOYSA-N
Inchi IDInChI=1S/C29H29N5O3S/c1-2-32-28(36)22-7-5-6-20(16-22)19-38-29-25(18-31)26(21-8-10-23(11-9-21)37-15-14-35)24(17-30)27(33-29)34-12-3-4-13-34/h5-11,16,35H,2-4,12-15,19H2,1H3,(H,32,36)
PubChem CID66631991
ChEMBLCHEMBL3913385
IUPHARN/A
BindingDB191870
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
517337Adenosine receptor A1P30542ADORA1Homo sapiens (Human)326
517338Adenosine receptor A2aP29274ADORA2AHomo sapiens (Human)412
517336Adenosine receptor A2bP29275ADORA2BHomo sapiens (Human)332

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