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Ligand

NameCHEMBL3924243
Molecular formulaC28H33ClN2O5
IUPAC nameN-(4-chloro-3-pyridin-2-ylphenyl)-2-[(1R,4S,5R,8S,9R,10R,12R,13R)-1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecan-10-yl]acetamide
Molecular weight513.031
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP5.1
SynonymsBDBM50200498
Inchi KeyFYBFXVILVGDINR-WSGLMESZSA-N
Inchi IDInChI=1S/C28H33ClN2O5/c1-16-7-9-21-17(2)24(33-26-28(21)20(16)11-12-27(3,34-26)35-36-28)15-25(32)31-18-8-10-22(29)19(14-18)23-6-4-5-13-30-23/h4-6,8,10,13-14,16-17,20-21,24,26H,7,9,11-12,15H2,1-3H3,(H,31,32)/t16-,17-,20+,21+,24-,26-,27-,28-/m1/s1
PubChem CID134142019
ChEMBLCHEMBL3924243
IUPHARN/A
BindingDB50200498
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
548966Smoothened homologP56726SmoMus musculus (Mouse)793

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