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Ligand

NameCHEMBL402422
Molecular formulaC22H26N6O2S
IUPAC name2-methyl-8-[3-[[4-methyl-5-(4-methyl-1,3-oxazol-5-yl)-1,2,4-triazol-3-yl]sulfanyl]propyl]-6,7,9,10-tetrahydro-[1,3]oxazolo[5,4-i][3]benzazepine
Molecular weight438.55
Hydrogen bond acceptor8
Hydrogen bond donor0
XlogP3.4
SynonymsBDBM50423605
Inchi KeyAHTVKTAOAOXKMG-UHFFFAOYSA-N
Inchi IDInChI=1S/C22H26N6O2S/c1-14-20(29-13-23-14)21-25-26-22(27(21)3)31-12-4-9-28-10-7-16-5-6-18-19(17(16)8-11-28)24-15(2)30-18/h5-6,13H,4,7-12H2,1-3H3
PubChem CID44454358
ChEMBLCHEMBL402422
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

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Total entries: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
5882D(2) dopamine receptorP14416DRD2Homo sapiens (Human)443
5883D(3) dopamine receptorP35462DRD3Homo sapiens (Human)400
5884Histamine H1 receptorP35367HRH1Homo sapiens (Human)487

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