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Ligand

NameCHEMBL319986
Molecular formulaC32H37FN4O3
IUPAC nameN-tert-butyl-2-[(3R,5S,7R)-7-(3-fluorophenyl)-3-[(3-methylphenyl)carbamoylamino]-2-oxo-5-phenylazepan-1-yl]acetamide
Molecular weight544.671
Hydrogen bond acceptor4
Hydrogen bond donor3
XlogP5.0
SynonymsBDBM50283831
N-tert-Butyl-2-[(3R,5S,7R)-7-(3-fluoro-phenyl)-2-oxo-5-phenyl-3-(3-m-tolyl-ureido)-azepan-1-yl]-acetamide
Inchi KeyCHYXBVRNXVPDAR-HNPKZYAISA-N
Inchi IDInChI=1S/C32H37FN4O3/c1-21-10-8-15-26(16-21)34-31(40)35-27-18-24(22-11-6-5-7-12-22)19-28(23-13-9-14-25(33)17-23)37(30(27)39)20-29(38)36-32(2,3)4/h5-17,24,27-28H,18-20H2,1-4H3,(H,36,38)(H2,34,35,40)/t24-,27+,28+/m0/s1
PubChem CID44329487
ChEMBLCHEMBL319986
IUPHARN/A
BindingDB50283831
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
42434Cholecystokinin receptor type AQ63931CCKARCavia porcellus (Guinea pig)430
42433Gastrin/cholecystokinin type B receptorP32239CCKBRHomo sapiens (Human)447

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