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Ligand

NameCHEMBL344014
Molecular formulaC47H47N3O8
IUPAC name5-[[(2R)-2-[[16-(1-adamantylmethylcarbamoyl)tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carbonyl]amino]-3-(4-methoxyphenyl)propanoyl]amino]benzene-1,3-dicarboxylic acid
Molecular weight781.906
Hydrogen bond acceptor8
Hydrogen bond donor5
XlogP6.6
SynonymsN/A
Inchi KeyAVKLNDGGPQGOGK-JTOZRDNLSA-N
Inchi IDInChI=1S/C47H47N3O8/c1-58-32-12-10-25(11-13-32)17-37(42(51)49-31-19-29(45(54)55)18-30(20-31)46(56)57)50-44(53)41-39-35-8-4-2-6-33(35)38(34-7-3-5-9-36(34)39)40(41)43(52)48-24-47-21-26-14-27(22-47)16-28(15-26)23-47/h2-13,18-20,26-28,37-41H,14-17,21-24H2,1H3,(H,48,52)(H,49,51)(H,50,53)(H,54,55)(H,56,57)/t26?,27?,28?,37-,38?,39?,40?,41?,47?/m1/s1
PubChem CID44356826
ChEMBLCHEMBL344014
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: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
15360Cholecystokinin receptor type AQ63931CCKARCavia porcellus (Guinea pig)430
15361Gastrin/cholecystokinin type B receptorP56481CckbrMus musculus (Mouse)453

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