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Ligand

NameCHEMBL45983
Molecular formulaC25H31N5O2
IUPAC name11-[2-[2-(piperidin-1-ylmethyl)piperidin-1-yl]acetyl]-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one
Molecular weight433.556
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP2.1
Synonyms11-[2-(2-Piperidin-1-ylmethyl-piperidin-1-yl)-acetyl]-5,11-dihydro-benzo[e]pyrido[3,2-b][1,4]diazepin-6-one
BDBM50018311
SCHEMBL10930585
11-[[2-(Piperidinomethyl)piperidin-1-yl]acetyl]-5H-pyrido[2,3-b][1,4]benzodiazepin-6(11H)-one
Inchi KeyCYFPJXMZQJRQQU-UHFFFAOYSA-N
Inchi IDInChI=1S/C25H31N5O2/c31-23(18-29-16-7-4-9-19(29)17-28-14-5-1-6-15-28)30-22-12-3-2-10-20(22)25(32)27-21-11-8-13-26-24(21)30/h2-3,8,10-13,19H,1,4-7,9,14-18H2,(H,27,32)
PubChem CID13578555
ChEMBLCHEMBL45983
IUPHARN/A
BindingDB50018311
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
53448Muscarinic acetylcholine receptor M2P10980Chrm2Rattus norvegicus (Rat)466
53449Muscarinic acetylcholine receptor M3P08483Chrm3Rattus norvegicus (Rat)589

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