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Ligand

NameCHEMBL272694
Molecular formulaC29H32N6OS
IUPAC name2,10-dimethyl-7-[3-[[4-methyl-5-(2-methylquinolin-5-yl)-1,2,4-triazol-3-yl]sulfanyl]propyl]-5,6,8,9-tetrahydro-[1,3]oxazolo[4,5-h][3]benzazepine
Molecular weight512.676
Hydrogen bond acceptor7
Hydrogen bond donor0
XlogP5.6
SynonymsSCHEMBL2312420
BDBM50411667
Inchi KeyACRMNEFOWLXFLY-UHFFFAOYSA-N
Inchi IDInChI=1S/C29H32N6OS/c1-18-9-10-23-24(7-5-8-25(23)30-18)28-32-33-29(34(28)4)37-16-6-13-35-14-11-21-17-26-27(36-20(3)31-26)19(2)22(21)12-15-35/h5,7-10,17H,6,11-16H2,1-4H3
PubChem CID11663504
ChEMBLCHEMBL272694
IUPHARN/A
BindingDB50411667
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
1841D(2) dopamine receptorP14416DRD2Homo sapiens (Human)443
1839D(3) dopamine receptorP35462DRD3Homo sapiens (Human)400
1840Histamine H1 receptorP35367HRH1Homo sapiens (Human)487

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