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Ligand

NameA-131701
Molecular formulaC24H24N4O3S
IUPAC name5-[2-[(3aR,9bR)-6-methoxy-1,3,3a,4,5,9b-hexahydrobenzo[e]isoindol-2-yl]ethyl]-8-thia-3,5,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraene-4,6-dione
Molecular weight448.541
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP3.2
Synonyms2-[2-(6-Methoxy-1,3,3a,4,5,9b-hexahydro-benzo[e]isoindol-2-yl)-ethyl]-4H-9-thia-2,4,5-triaza-fluorene-1,3-dione
BDBM50060965
2-[2-((3aR,9bR)-6-Methoxy-1,3,3a,4,5,9b-hexahydro-benzo[e]isoindol-2-yl)-ethyl]-4H-9-thia-2,4,5-triaza-fluorene-1,3-dione
D0L5TJ
2-[2-((3aR,9bR)-6-Methoxy-1,3,3a,4,5,9b-hexahydro-benzo[e]isoindol-2-yl)-ethyl]-4H-9-thia-2,4,6-triaza-fluorene-1,3-dione
[ Show all ]
Inchi KeyOLPQNRLJYOGSGV-WMLDXEAASA-N
Inchi IDInChI=1S/C24H24N4O3S/c1-31-18-5-2-4-15-16(18)8-7-14-12-27(13-17(14)15)10-11-28-23(29)22-21(26-24(28)30)20-19(32-22)6-3-9-25-20/h2-6,9,14,17H,7-8,10-13H2,1H3,(H,26,30)/t14-,17+/m0/s1
PubChem CID10527469
ChEMBLCHEMBL40650
IUPHARN/A
BindingDB50060965
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: 16
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
2445265-hydroxytryptamine receptor 1FP30940Htr1fRattus norvegicus (Rat)366
2445185-hydroxytryptamine receptor 2AQ75Z89HTR2ABos taurus (Bovine)470
244519Alpha-1A adrenergic receptorP43140Adra1aRattus norvegicus (Rat)466
244520Alpha-1A adrenergic receptorP35348ADRA1AHomo sapiens (Human)466
244522Alpha-1B adrenergic receptorP18841ADRA1BMesocricetus auratus (Golden hamster)515
244523Alpha-1B adrenergic receptorP35368ADRA1BHomo sapiens (Human)520
244527Alpha-1B adrenergic receptorP15823Adra1bRattus norvegicus (Rat)515
244515Alpha-1D adrenergic receptorP23944Adra1dRattus norvegicus (Rat)561
244529Alpha-1D adrenergic receptorP25100ADRA1DHomo sapiens (Human)572
244528Alpha-2A adrenergic receptorP08913ADRA2AHomo sapiens (Human)450
244517Alpha-2B adrenergic receptorP19328Adra2bRattus norvegicus (Rat)453
244530Alpha-2C adrenergic receptorP18825ADRA2CHomo sapiens (Human)462
244521Beta-1 adrenergic receptorP08588ADRB1Homo sapiens (Human)477
244516Beta-2 adrenergic receptorP07550ADRB2Homo sapiens (Human)413
244524D(1A) dopamine receptorQ61616Drd1Mus musculus (Mouse)446
244525D(2) dopamine receptorP14416DRD2Homo sapiens (Human)443

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