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Ligand

NameCHEMBL408169
Molecular formulaC28H32N6OS
IUPAC name8-[3-[[4-methyl-5-(2-methylquinolin-5-yl)-1,2,4-triazol-3-yl]sulfanyl]propyl]-3,4,6,7,9,10-hexahydro-2H-[1,4]oxazino[2,3-h][3]benzazepine
Molecular weight500.665
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP4.7
SynonymsBDBM50411683
SCHEMBL2309723
Inchi KeyAJBBNBBBDUCRTB-UHFFFAOYSA-N
Inchi IDInChI=1S/C28H32N6OS/c1-19-7-8-22-23(5-3-6-24(22)30-19)27-31-32-28(33(27)2)36-16-4-12-34-13-9-20-17-25-26(35-15-11-29-25)18-21(20)10-14-34/h3,5-8,17-18,29H,4,9-16H2,1-2H3
PubChem CID11584185
ChEMBLCHEMBL408169
IUPHARN/A
BindingDB50411683
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
6741D(2) dopamine receptorP14416DRD2Homo sapiens (Human)443
6740D(3) dopamine receptorP35462DRD3Homo sapiens (Human)400

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