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Ligand

NameCHEMBL173042
Molecular formulaC22H30N2S
IUPAC name(6aR,10aR)-5-hexylsulfanyl-7,9-dimethyl-6,6a,8,10a-tetrahydro-4H-indolo[4,3-fg]quinoline
Molecular weight354.556
Hydrogen bond acceptor2
Hydrogen bond donor1
XlogP5.7
SynonymsSCHEMBL10686383
6,8-Dimethyl-2-hexylthio-8,9-didehydroergoline
5-Hexylsulfanyl-7,9-dimethyl-4,6,6a,7,8,10a-hexahydro-indolo[4,3-fg]quinoline
BDBM50040153
Inchi KeyAPPQUNGDZNNCCP-YLJYHZDGSA-N
Inchi IDInChI=1S/C22H30N2S/c1-4-5-6-7-11-25-22-18-13-20-17(12-15(2)14-24(20)3)16-9-8-10-19(23-22)21(16)18/h8-10,12,17,20,23H,4-7,11,13-14H2,1-3H3/t17-,20-/m1/s1
PubChem CID10428247
ChEMBLCHEMBL173042
IUPHARN/A
BindingDB50040153
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
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
11217D(2) dopamine receptorP20288DRD2Bos taurus (Bovine)444

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