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Ligand

NameCHEMBL1202052
Molecular formulaC22H39N3O3
IUPAC nametert-butyl N-[8-[methyl(4-pyrrolidin-1-ylbut-2-ynyl)amino]-8-oxooctyl]carbamate
Molecular weight393.572
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP3.1
Synonyms8-Aminooctamide, N-methyl-N-[4-(1-pyrrolidinyl)-2-butynyl]-N'-BOC-
tert-Butyl 8-(methyl[4-(1-pyrrolidinyl)-2-butynyl]amino)-8-oxooctylcarbamate #
AC1LB7Y7
CHEMBL350134
8-Aminooctamide, N-methyl-N-[4-(1-pyrrolidinyl)-2-butynyl]-N'-t-butyloxycarbonyl-
[ Show all ]
Inchi KeyAAZZRQOLTDMXGV-UHFFFAOYSA-N
Inchi IDInChI=1S/C22H39N3O3/c1-22(2,3)28-21(27)23-15-9-7-5-6-8-14-20(26)24(4)16-10-11-17-25-18-12-13-19-25/h5-9,12-19H2,1-4H3,(H,23,27)
PubChem CID578009
ChEMBLN/A
IUPHARN/A
BindingDB50368049
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: 1
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GLASS IDNameUniProtGeneSpeciesLength
681Muscarinic acetylcholine receptor M3P08483Chrm3Rattus norvegicus (Rat)589

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