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Ligand

NameCHEMBL296167
Molecular formulaC47H47N3O7
IUPAC name5-[[(2S)-2-[[2-[16-(1-adamantylmethylcarbamoyl)-15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl]acetyl]amino]-3-phenylpropanoyl]amino]benzene-1,3-dicarboxylic acid
Molecular weight765.907
Hydrogen bond acceptor7
Hydrogen bond donor5
XlogP6.8
SynonymsN/A
Inchi KeyBNFRIDBZBVFJIR-FPHMAPQXSA-N
Inchi IDInChI=1S/C47H47N3O7/c51-39(50-38(17-26-8-2-1-3-9-26)43(52)49-32-19-30(45(54)55)18-31(20-32)46(56)57)21-37-40-33-10-4-6-12-35(33)41(36-13-7-5-11-34(36)40)42(37)44(53)48-25-47-22-27-14-28(23-47)16-29(15-27)24-47/h1-13,18-20,27-29,37-38,40-42H,14-17,21-25H2,(H,48,53)(H,49,52)(H,50,51)(H,54,55)(H,56,57)/t27?,28?,29?,37?,38-,40?,41?,42?,47?/m0/s1
PubChem CID44296914
ChEMBLCHEMBL296167
IUPHARN/A
BindingDBN/A
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: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
28071Cholecystokinin receptor type AQ63931CCKARCavia porcellus (Guinea pig)430
28069Gastrin/cholecystokinin type B receptorP30553CckbrRattus norvegicus (Rat)452
28070Gastrin/cholecystokinin type B receptorP56481CckbrMus musculus (Mouse)453

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