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Ligand

NameCHEMBL103189
Molecular formulaC23H26N4OS
IUPAC name11-[2-[(9aS)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]ethanethioyl]-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one
Molecular weight406.548
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP2.4
SynonymsBDBM50082335
11-((S)-2-Octahydro-quinolizin-1-yl-thioacetyl)-5,11-dihydro-benzo[e]pyrido[3,2-b][1,4]diazepin-6-one
Inchi KeyAGKOAFGRVCVBFH-CVMIBEPCSA-N
Inchi IDInChI=1S/C23H26N4OS/c28-23-17-8-1-2-11-20(17)27(22-18(25-23)9-5-12-24-22)21(29)15-16-7-6-14-26-13-4-3-10-19(16)26/h1-2,5,8-9,11-12,16,19H,3-4,6-7,10,13-15H2,(H,25,28)/t16?,19-/m0/s1
PubChem CID44333822
ChEMBLCHEMBL103189
IUPHARN/A
BindingDB50082335
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: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
4961Muscarinic acetylcholine receptor M1P08482Chrm1Rattus norvegicus (Rat)460
4962Muscarinic acetylcholine receptor M2P10980Chrm2Rattus norvegicus (Rat)466
4960Muscarinic acetylcholine receptor M3P08483Chrm3Rattus norvegicus (Rat)589

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