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Ligand

NameCHEMBL281017
Molecular formulaC41H46N6O5
IUPAC name2-[3-[1-methyl-3-[(3-methylphenyl)carbamoylamino]-2-oxo-3H-1,4-benzodiazepin-5-yl]phenoxy]-N-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]acetamide
Molecular weight702.856
Hydrogen bond acceptor7
Hydrogen bond donor3
XlogP5.8
SynonymsBDBM50287247
2-{3-[1-Methyl-2-oxo-3-(3-m-tolyl-ureido)-2,3-dihydro-1H-benzo[e][1,4]diazepin-5-yl]-phenoxy}-N-[3-(3-piperidin-1-ylmethyl-phenoxy)-propyl]-acetamide
Inchi KeyILXBHSJAXBREPQ-UHFFFAOYSA-N
Inchi IDInChI=1S/C41H46N6O5/c1-29-12-8-15-32(24-29)43-41(50)45-39-40(49)46(2)36-19-5-4-18-35(36)38(44-39)31-14-10-17-34(26-31)52-28-37(48)42-20-11-23-51-33-16-9-13-30(25-33)27-47-21-6-3-7-22-47/h4-5,8-10,12-19,24-26,39H,3,6-7,11,20-23,27-28H2,1-2H3,(H,42,48)(H2,43,45,50)
PubChem CID44279862
ChEMBLCHEMBL281017
IUPHARN/A
BindingDB50287247
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
This ligand has a partition coefficient log P greater than 5.

Known GPCRs

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Total entries: 4
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
136408Cholecystokinin receptor type AO08786CckarMus musculus (Mouse)436
136409Gastrin/cholecystokinin type B receptorP56481CckbrMus musculus (Mouse)453
136410Gastrin/cholecystokinin type B receptorP32239CCKBRHomo sapiens (Human)447
136411Histamine H2 receptorP25102Hrh2Rattus norvegicus (Rat)358

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