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Ligand

NameCHEMBL279778
Molecular formulaC46H55N7O5
IUPAC name6-[[2-[3-[[(3R)-1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]carbamoylamino]phenyl]acetyl]amino]-N-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]hexanamide
Molecular weight785.99
Hydrogen bond acceptor7
Hydrogen bond donor4
XlogP5.7
Synonyms6-(2-{3-[3-((R)-1-Methyl-2-oxo-5-phenyl-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-yl)-ureido]-phenyl}-acetylamino)-hexanoic acid [3-(3-piperidin-1-ylmethyl-phenoxy)-propyl]-amide
BDBM50287256
Inchi KeyJGBFILKSOSOQIX-SJARJILFSA-N
Inchi IDInChI=1S/C46H55N7O5/c1-52-40-23-9-8-22-39(40)43(36-18-5-2-6-19-36)50-44(45(52)56)51-46(57)49-37-20-13-16-34(30-37)32-42(55)48-25-10-3-7-24-41(54)47-26-15-29-58-38-21-14-17-35(31-38)33-53-27-11-4-12-28-53/h2,5-6,8-9,13-14,16-23,30-31,44H,3-4,7,10-12,15,24-29,32-33H2,1H3,(H,47,54)(H,48,55)(H2,49,51,57)/t44-/m0/s1
PubChem CID44279809
ChEMBLCHEMBL279778
IUPHARN/A
BindingDB50287256
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
150103Cholecystokinin receptor type AO08786CckarMus musculus (Mouse)436
150101Gastrin/cholecystokinin type B receptorP56481CckbrMus musculus (Mouse)453
150102Gastrin/cholecystokinin type B receptorP32239CCKBRHomo sapiens (Human)447
150104Histamine H2 receptorP25102Hrh2Rattus norvegicus (Rat)358

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