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Ligand

NameCHEMBL3775737
Molecular formulaC23H32FN5OS
IUPAC name1-(4-fluorophenyl)-5-[3-[[4-methyl-5-(oxan-4-yl)-1,2,4-triazol-3-yl]sulfanyl]propyl]-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole
Molecular weight445.601
Hydrogen bond acceptor7
Hydrogen bond donor0
XlogP3.2
SynonymsBDBM50154852
SCHEMBL18452519
Inchi KeyAJEQJTPMMJPNLR-UHFFFAOYSA-N
Inchi IDInChI=1S/C23H32FN5OS/c1-27-22(17-8-12-30-13-9-17)25-26-23(27)31-14-2-10-28-15-18-7-11-29(21(18)16-28)20-5-3-19(24)4-6-20/h3-6,17-18,21H,2,7-16H2,1H3
PubChem CID126533669
ChEMBLCHEMBL3775737
IUPHARN/A
BindingDB50154852
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
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
521648D(2) dopamine receptorP14416DRD2Homo sapiens (Human)443
521647D(3) dopamine receptorP35462DRD3Homo sapiens (Human)400

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