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Ligand

NameCHEMBL31090
Molecular formulaC44H51N7O5
IUPAC name4-[[2-[3-[(3-methylphenyl)carbamoylamino]-2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl]acetyl]amino]-N-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]butanamide
Molecular weight757.936
Hydrogen bond acceptor7
Hydrogen bond donor4
XlogP5.4
SynonymsBDBM50287246
4-{2-[2-Oxo-5-phenyl-3-(3-m-tolyl-ureido)-2,3-dihydro-benzo[e][1,4]diazepin-1-yl]-acetylamino}-N-[3-(3-piperidin-1-ylmethyl-phenoxy)-propyl]-butyramide
Inchi KeyOSTNHMODDQIWKV-UHFFFAOYSA-N
Inchi IDInChI=1S/C44H51N7O5/c1-32-14-10-18-35(28-32)47-44(55)49-42-43(54)51(38-21-7-6-20-37(38)41(48-42)34-16-4-2-5-17-34)31-40(53)46-23-12-22-39(52)45-24-13-27-56-36-19-11-15-33(29-36)30-50-25-8-3-9-26-50/h2,4-7,10-11,14-21,28-29,42H,3,8-9,12-13,22-27,30-31H2,1H3,(H,45,52)(H,46,53)(H2,47,49,55)
PubChem CID44280224
ChEMBLCHEMBL31090
IUPHARN/A
BindingDB50287246
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
249498Cholecystokinin receptor type AO08786CckarMus musculus (Mouse)436
249497Gastrin/cholecystokinin type B receptorP32239CCKBRHomo sapiens (Human)447
249500Gastrin/cholecystokinin type B receptorP56481CckbrMus musculus (Mouse)453
249499Histamine H2 receptorP25102Hrh2Rattus norvegicus (Rat)358

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