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Ligand

NameCHEMBL282645
Molecular formulaC45H53N7O6
IUPAC name4-[[2-[3-[1-methyl-3-[(3-methylphenyl)carbamoylamino]-2-oxo-3H-1,4-benzodiazepin-5-yl]phenoxy]acetyl]amino]-N-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]butanamide
Molecular weight787.962
Hydrogen bond acceptor8
Hydrogen bond donor4
XlogP5.4
Synonyms4-(2-{3-[1-Methyl-2-oxo-3-(3-m-tolyl-ureido)-2,3-dihydro-1H-benzo[e][1,4]diazepin-5-yl]-phenoxy}-acetylamino)-N-[3-(3-piperidin-1-ylmethyl-phenoxy)-propyl]-butyramide
BDBM50287235
Inchi KeyBUPULZSGJRTAJI-UHFFFAOYSA-N
Inchi IDInChI=1S/C45H53N7O6/c1-32-13-8-16-35(27-32)48-45(56)50-43-44(55)51(2)39-20-5-4-19-38(39)42(49-43)34-15-10-18-37(29-34)58-31-41(54)47-22-11-21-40(53)46-23-12-26-57-36-17-9-14-33(28-36)30-52-24-6-3-7-25-52/h4-5,8-10,13-20,27-29,43H,3,6-7,11-12,21-26,30-31H2,1-2H3,(H,46,53)(H,47,54)(H2,48,50,56)
PubChem CID44280372
ChEMBLCHEMBL282645
IUPHARN/A
BindingDB50287235
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
33253Cholecystokinin receptor type AO08786CckarMus musculus (Mouse)436
33254Gastrin/cholecystokinin type B receptorP56481CckbrMus musculus (Mouse)453
33255Gastrin/cholecystokinin type B receptorP32239CCKBRHomo sapiens (Human)447
33252Histamine H2 receptorP25102Hrh2Rattus norvegicus (Rat)358

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