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Ligand

NameCHEMBL1202001
Molecular formulaC58H76N10O20
IUPAC name11-[2-[6-[methyl-[8-[methyl-[6-[[2-oxo-2-(5-oxo-6H-pyrido[3,2-c][1,5]benzodiazepin-11-yl)ethyl]amino]hexyl]amino]octyl]amino]hexylamino]acetyl]-6H-pyrido[3,2-c][1,5]benzodiazepin-5-one;oxalic acid
Molecular weight1233.3
Hydrogen bond acceptor26
Hydrogen bond donor12
XlogPNone
SynonymsN/A
Inchi KeyDDXKWMJFZQQOPD-UHFFFAOYSA-N
Inchi IDInChI=1S/C50H68N10O4.4C2H2O4/c1-57(35-19-9-5-15-29-51-37-45(61)59-43-27-13-11-25-41(43)55-49(63)39-23-21-31-53-47(39)59)33-17-7-3-4-8-18-34-58(2)36-20-10-6-16-30-52-38-46(62)60-44-28-14-12-26-42(44)56-50(64)40-24-22-32-54-48(40)60;4*3-1(4)2(5)6/h11-14,21-28,31-32,51-52H,3-10,15-20,29-30,33-38H2,1-2H3,(H,55,63)(H,56,64);4*(H,3,4)(H,5,6)
PubChem CID49859836
ChEMBLCHEMBL1202001
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 5 hydrogen bond donor.
This ligand has more than 10 hydrogen bond acceptor.
This ligand is heavier than 500 daltons.
Partition coefficient log P of this ligand is not available.

Known GPCRs

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Total entries: 5
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
57556Muscarinic acetylcholine receptor M1P08482Chrm1Rattus norvegicus (Rat)460
57552Muscarinic acetylcholine receptor M2P08172CHRM2Homo sapiens (Human)466
57554Muscarinic acetylcholine receptor M2P10980Chrm2Rattus norvegicus (Rat)466
57555Muscarinic acetylcholine receptor M3P08483Chrm3Rattus norvegicus (Rat)589
57553Muscarinic acetylcholine receptor M4P08485Chrm4Rattus norvegicus (Rat)478

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