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BioLiP E. coli GLASS GPCR-HGmod GPCR-RD GPCR-EXP Tara-3D TM-fold DECOYS POTENTIAL RW/RWplus EvoEF HPSF THE-DB ADDRESS Alpaca-Antibody CASP7 CASP8 CASP9 CASP10 CASP11 CASP12 CASP13 CASP14

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Ligand

NameCHEMBL295214
Molecular formulaC24H31N5O2
IUPAC name11-[2-[3-(diethylaminomethyl)piperidin-1-yl]acetyl]-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one
Molecular weight421.545
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP1.8
Synonyms11-[[3-[(Diethylamino)methyl]-1-piperidinyl]acetyl]-5,11-dihydro-6H-pyrido[2,3-b][1,4]benzodiazepin-6-one
BDBM50018313
11-[[3-[(Diethylamino)methyl]piperidin-1-yl]acetyl]-5H-pyrido[2,3-b][1,4]benzodiazepin-6(11H)-one
CFSAYJWUFSZBRD-UHFFFAOYSA-N
11-[2-(3-Diethylaminomethyl-piperidin-1-yl)-acetyl]-5,11-dihydro-benzo[e]pyrido[3,2-b][1,4]diazepin-6-one
[ Show all ]
Inchi KeyCFSAYJWUFSZBRD-UHFFFAOYSA-N
Inchi IDInChI=1S/C24H31N5O2/c1-3-27(4-2)15-18-9-8-14-28(16-18)17-22(30)29-21-12-6-5-10-19(21)24(31)26-20-11-7-13-25-23(20)29/h5-7,10-13,18H,3-4,8-9,14-17H2,1-2H3,(H,26,31)
PubChem CID13578571
ChEMBLCHEMBL295214
IUPHARN/A
BindingDB50018313
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
40935Muscarinic acetylcholine receptor M2P10980Chrm2Rattus norvegicus (Rat)466
40934Muscarinic acetylcholine receptor M3P08483Chrm3Rattus norvegicus (Rat)589

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