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Ligand

NameCHEMBL29433
Molecular formulaC23H26ClN3O3S2
IUPAC nameN-[3-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-4-methoxyphenyl]-5-chloro-3-methyl-1-benzothiophene-2-sulfonamide
Molecular weight492.049
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP5.2
Synonyms5-Chloro-3-methyl-benzo[b]thiophene-2-sulfonic acid ((S)-3-hexahydro-pyrrolo[1,2-a]pyrazin-2-yl-4-methoxy-phenyl)-amide
BDBM50130270
N-[3-[(8aalpha)-Octahydropyrrolo[1,2-a]pyrazine-2-yl]-4-methoxyphenyl]-3-methyl-5-chlorobenzo[b]thiophene-2-sulfonamide
5-Chloro-3-methyl-benzo[b]thiophene-2-sulfonic acid [3-(hexahydro-pyrrolo[1,2-a]pyrazin-2-yl)-4-methoxy-phenyl]-amide
Inchi KeyDVALOPXWVWHIHY-SFHVURJKSA-N
Inchi IDInChI=1S/C23H26ClN3O3S2/c1-15-19-12-16(24)5-8-22(19)31-23(15)32(28,29)25-17-6-7-21(30-2)20(13-17)27-11-10-26-9-3-4-18(26)14-27/h5-8,12-13,18,25H,3-4,9-11,14H2,1-2H3/t18-/m0/s1
PubChem CID9913554
ChEMBLCHEMBL29433
IUPHARN/A
BindingDB50130270
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: 14
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
697125-hydroxytryptamine receptor 1AP08908HTR1AHomo sapiens (Human)422
697175-hydroxytryptamine receptor 1BP28222HTR1BHomo sapiens (Human)390
697115-hydroxytryptamine receptor 1DP28221HTR1DHomo sapiens (Human)377
697095-hydroxytryptamine receptor 1EP28566HTR1EHomo sapiens (Human)365
697145-hydroxytryptamine receptor 1FP30939HTR1FHomo sapiens (Human)366
697135-hydroxytryptamine receptor 2AP28223HTR2AHomo sapiens (Human)471
697085-hydroxytryptamine receptor 2BP41595HTR2BHomo sapiens (Human)481
697155-hydroxytryptamine receptor 2CP28335HTR2CHomo sapiens (Human)458
697165-hydroxytryptamine receptor 4Q13639HTR4Homo sapiens (Human)388
697105-hydroxytryptamine receptor 6P50406HTR6Homo sapiens (Human)440
697075-hydroxytryptamine receptor 7P34969HTR7Homo sapiens (Human)479
69705Alpha-1B adrenergic receptorP35368ADRA1BHomo sapiens (Human)520
69706D(2) dopamine receptorP14416DRD2Homo sapiens (Human)443
69718D(3) dopamine receptorP35462DRD3Homo sapiens (Human)400

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