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Ligand

NameCHEMBL297224
Molecular formulaC25H33N5O2
IUPAC name11-[2-[2-(diethylaminomethyl)piperidin-1-yl]acetyl]-8-methyl-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one
Molecular weight435.572
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP2.3
SynonymsBBXUFVFKSJHXJC-UHFFFAOYSA-N
BDBM50018292
11-[2-(2-Diethylaminomethyl-piperidin-1-yl)-acetyl]-8-methyl-5,11-dihydro-benzo[e]pyrido[3,2-b][1,4]diazepin-6-one
SCHEMBL10391173
8-Methyl-11-[[2-[(diethylamino)methyl]piperidin-1-yl]acetyl]-5H-pyrido[2,3-b][1,4]benzodiazepin-6(11H)-one
[ Show all ]
Inchi KeyBBXUFVFKSJHXJC-UHFFFAOYSA-N
Inchi IDInChI=1S/C25H33N5O2/c1-4-28(5-2)16-19-9-6-7-14-29(19)17-23(31)30-22-12-11-18(3)15-20(22)25(32)27-21-10-8-13-26-24(21)30/h8,10-13,15,19H,4-7,9,14,16-17H2,1-3H3,(H,27,32)
PubChem CID10094518
ChEMBLCHEMBL297224
IUPHARN/A
BindingDB50018292
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: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
19929Muscarinic acetylcholine receptor M2P10980Chrm2Rattus norvegicus (Rat)466
19930Muscarinic acetylcholine receptor M3P08483Chrm3Rattus norvegicus (Rat)589

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