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Ligand

NameMLS000549502
Molecular formulaC34H45N3O3
IUPAC nameN-[3-(adamantane-1-carbonylamino)-5-(piperidine-1-carbonyl)phenyl]adamantane-1-carboxamide
Molecular weight543.752
Hydrogen bond acceptor3
Hydrogen bond donor2
XlogP5.7
SynonymsAC1N802K
SMR000114790
BDBM41588
N,N'-[5-(piperidin-1-ylcarbonyl)benzene-1,3-diyl]bistricyclo[3.3.1.1~3,7~]decane-1-carboxamide
STL172005
[ Show all ]
Inchi KeyCZWKWMBVBQSYHN-UHFFFAOYSA-N
Inchi IDInChI=1S/C34H45N3O3/c38-30(37-4-2-1-3-5-37)27-12-28(35-31(39)33-15-21-6-22(16-33)8-23(7-21)17-33)14-29(13-27)36-32(40)34-18-24-9-25(19-34)11-26(10-24)20-34/h12-14,21-26H,1-11,15-20H2,(H,35,39)(H,36,40)
PubChem CID4287683
ChEMBLCHEMBL1309450
IUPHARN/A
BindingDB41588
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
54726Glucagon-like peptide 1 receptorP43220GLP1RHomo sapiens (Human)463
54725Sphingosine 1-phosphate receptor 2O95136S1PR2Homo sapiens (Human)353

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