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Ligand

NameCHEMBL133249
Molecular formulaC46H49N3O5
IUPAC name15-N-(1-adamantylmethyl)-16-N-[(2S)-1-[3,5-bis(hydroxymethyl)anilino]-1-oxo-3-phenylpropan-2-yl]tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15,16-dicarboxamide
Molecular weight723.914
Hydrogen bond acceptor5
Hydrogen bond donor5
XlogP5.8
SynonymsN/A
Inchi KeyFAESKQGIFZWELQ-JZFOZEKSSA-N
Inchi IDInChI=1S/C46H49N3O5/c50-24-31-17-32(25-51)19-33(18-31)48-43(52)38(20-27-8-2-1-3-9-27)49-45(54)42-40-36-12-6-4-10-34(36)39(35-11-5-7-13-37(35)40)41(42)44(53)47-26-46-21-28-14-29(22-46)16-30(15-28)23-46/h1-13,17-19,28-30,38-42,50-51H,14-16,20-26H2,(H,47,53)(H,48,52)(H,49,54)/t28?,29?,30?,38-,39?,40?,41?,42?,46?/m0/s1
PubChem CID10628696
ChEMBLCHEMBL133249
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: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
73335Gastrin/cholecystokinin type B receptorP56481CckbrMus musculus (Mouse)453

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