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Ligand

NameCHEMBL94988
Molecular formulaC25H25ClN4O2S2
IUPAC nameN-[4-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]quinolin-6-yl]-5-chloro-3-methyl-1-benzothiophene-2-sulfonamide
Molecular weight513.071
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP5.5
SynonymsBDBM50219095
N-[4-[(8aalpha)-Octahydropyrrolo[1,2-a]pyrazine-2-yl]-6-quinolinyl]-3-methyl-5-chlorobenzo[b]thiophene-2-sulfonamide
Inchi KeyAGPJNLXSJLVUTM-IBGZPJMESA-N
Inchi IDInChI=1S/C25H25ClN4O2S2/c1-16-20-13-17(26)4-7-24(20)33-25(16)34(31,32)28-18-5-6-22-21(14-18)23(8-9-27-22)30-12-11-29-10-2-3-19(29)15-30/h4-9,13-14,19,28H,2-3,10-12,15H2,1H3/t19-/m0/s1
PubChem CID44328732
ChEMBLCHEMBL94988
IUPHARN/A
BindingDB50219095
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
This ligand has a partition coefficient log P greater than 5.

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
50965-hydroxytryptamine receptor 6P50406HTR6Homo sapiens (Human)440

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