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Ligand

NameCHEMBL97133
Molecular formulaC34H42N4O3
IUPAC nameN-tert-butyl-2-[(3R,5S,7R)-5-(2-ethylphenyl)-3-[(3-methylphenyl)carbamoylamino]-2-oxo-7-phenylazepan-1-yl]acetamide
Molecular weight554.735
Hydrogen bond acceptor3
Hydrogen bond donor3
XlogP5.7
SynonymsBDBM50283822
N-tert-Butyl-2-[(3R,5S,7R)-5-(2-ethyl-phenyl)-2-oxo-7-phenyl-3-(3-m-tolyl-ureido)-azepan-1-yl]-acetamide
Inchi KeyAKHKIVGBTDKSGG-NPBSGPTKSA-N
Inchi IDInChI=1S/C34H42N4O3/c1-6-24-14-10-11-18-28(24)26-20-29(36-33(41)35-27-17-12-13-23(2)19-27)32(40)38(22-31(39)37-34(3,4)5)30(21-26)25-15-8-7-9-16-25/h7-19,26,29-30H,6,20-22H2,1-5H3,(H,37,39)(H2,35,36,41)/t26-,29+,30+/m0/s1
PubChem CID44329055
ChEMBLCHEMBL97133
IUPHARN/A
BindingDB50283822
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: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
7548Cholecystokinin receptor type AQ63931CCKARCavia porcellus (Guinea pig)430
7549Gastrin/cholecystokinin type B receptorP32239CCKBRHomo sapiens (Human)447

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