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Ligand

NameCHEMBL435263
Molecular formulaC22H24N2S
IUPAC name(6aR,9R,10aR)-7,9-dimethyl-5-phenylsulfanyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline
Molecular weight348.508
Hydrogen bond acceptor2
Hydrogen bond donor1
XlogP5.6
Synonyms7,9-Dimethyl-5-phenylsulfanyl-4,6,6a,7,8,9,10,10a-octahydro-indolo[4,3-fg]quinoline
BDBM50040151
6,8beta-Dimethyl-2-(phenylthio)ergoline
Inchi KeyFVVUBLWTATZKEN-WIBUTAKZSA-N
Inchi IDInChI=1S/C22H24N2S/c1-14-11-17-16-9-6-10-19-21(16)18(12-20(17)24(2)13-14)22(23-19)25-15-7-4-3-5-8-15/h3-10,14,17,20,23H,11-13H2,1-2H3/t14-,17-,20-/m1/s1
PubChem CID11725336
ChEMBLCHEMBL435263
IUPHARN/A
BindingDB50040151
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has a partition coefficient log P greater than 5.

Known GPCRs

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Total entries: 1
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GLASS IDNameUniProtGeneSpeciesLength
88560D(2) dopamine receptorP20288DRD2Bos taurus (Bovine)444

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