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Ligand

NameCHEMBL290122
Molecular formulaC45H53N7O6
IUPAC name2-[3-[[(3R)-1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]carbamoylamino]phenyl]ethyl N-[4-oxo-4-[3-[3-(piperidin-1-ylmethyl)phenoxy]propylamino]butyl]carbamate
Molecular weight787.962
Hydrogen bond acceptor8
Hydrogen bond donor4
XlogP5.7
SynonymsBDBM50287266
{3-[3-(3-Piperidin-1-ylmethyl-phenoxy)-propylcarbamoyl]-propyl}-carbamic acid 2-{3-[3-((R)-1-methyl-2-oxo-5-phenyl-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-yl)-ureido]-phenyl}-ethyl ester
Inchi KeyUZFBINGRHVFVJI-WBCKFURZSA-N
Inchi IDInChI=1S/C45H53N7O6/c1-51-39-21-7-6-20-38(39)41(35-16-4-2-5-17-35)49-42(43(51)54)50-44(55)48-36-18-10-14-33(30-36)23-29-58-45(56)47-24-12-22-40(53)46-25-13-28-57-37-19-11-15-34(31-37)32-52-26-8-3-9-27-52/h2,4-7,10-11,14-21,30-31,42H,3,8-9,12-13,22-29,32H2,1H3,(H,46,53)(H,47,56)(H2,48,50,55)/t42-/m0/s1
PubChem CID44280740
ChEMBLCHEMBL290122
IUPHARN/A
BindingDB50287266
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
349250Cholecystokinin receptor type AO08786CckarMus musculus (Mouse)436
349249Gastrin/cholecystokinin type B receptorP56481CckbrMus musculus (Mouse)453
349252Gastrin/cholecystokinin type B receptorP32239CCKBRHomo sapiens (Human)447
349251Histamine H2 receptorP25102Hrh2Rattus norvegicus (Rat)358

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