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Ligand

NameCHEMBL170356
Molecular formulaC17H20N2OS
IUPAC name(6aR,10aR)-7,9-dimethyl-5-methylsulfanyl-6,6a,8,10a-tetrahydro-4H-indolo[4,3-fg]quinolin-2-ol
Molecular weight300.42
Hydrogen bond acceptor3
Hydrogen bond donor2
XlogP3.0
Synonyms6,8-Dimethyl-2-methylthio-8,9-didehydroergolin-13-ol
7,9-Dimethyl-5-methylsulfanyl-4,6,6a,7,8,10a-hexahydro-indolo[4,3-fg]quinolin-2-ol
BDBM50040135
Inchi KeyDRWMVKDLMQSXBF-IAQYHMDHSA-N
Inchi IDInChI=1S/C17H20N2OS/c1-9-4-11-12-5-10(20)6-14-16(12)13(17(18-14)21-3)7-15(11)19(2)8-9/h4-6,11,15,18,20H,7-8H2,1-3H3/t11-,15-/m1/s1
PubChem CID10063389
ChEMBLCHEMBL170356
IUPHARN/A
BindingDB50040135
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: 1
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GLASS IDNameUniProtGeneSpeciesLength
67353D(2) dopamine receptorP20288DRD2Bos taurus (Bovine)444

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