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Ligand

NameCHEMBL1257447
Molecular formulaC22H27N5OS
IUPAC name4-methyl-5-[4-methyl-5-[3-(1-phenyl-3-azabicyclo[4.1.0]heptan-3-yl)propylsulfanyl]-1,2,4-triazol-3-yl]-1,3-oxazole
Molecular weight409.552
Hydrogen bond acceptor6
Hydrogen bond donor0
XlogP3.5
SynonymsBDBM50417106
Inchi KeyACFIBJLBHXWBFG-UHFFFAOYSA-N
Inchi IDInChI=1S/C22H27N5OS/c1-16-19(28-15-23-16)20-24-25-21(26(20)2)29-12-6-10-27-11-9-18-13-22(18,14-27)17-7-4-3-5-8-17/h3-5,7-8,15,18H,6,9-14H2,1-2H3
PubChem CID52948653
ChEMBLCHEMBL1257447
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: 2
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GLASS IDNameUniProtGeneSpeciesLength
1504D(2) dopamine receptorP14416DRD2Homo sapiens (Human)443
1503D(3) dopamine receptorP35462DRD3Homo sapiens (Human)400

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