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Ligand

NameMLS002698641
Molecular formulaC37H44N4O4
IUPAC name1-(cyclohexanecarbonyl)-N-[4-[2-[4-[methyl(2-phenylethyl)carbamoyl]anilino]-2-oxoethyl]phenyl]piperidine-3-carboxamide
Molecular weight608.783
Hydrogen bond acceptor4
Hydrogen bond donor2
XlogP5.3
SynonymsCHEMBL1726499
SMR001562767
HMS3100E24
Inchi KeyACFGKXYNEFWCCD-UHFFFAOYSA-N
Inchi IDInChI=1S/C37H44N4O4/c1-40(24-22-27-9-4-2-5-10-27)36(44)30-16-20-32(21-17-30)38-34(42)25-28-14-18-33(19-15-28)39-35(43)31-13-8-23-41(26-31)37(45)29-11-6-3-7-12-29/h2,4-5,9-10,14-21,29,31H,3,6-8,11-13,22-26H2,1H3,(H,38,42)(H,39,43)
PubChem CID44825549
ChEMBLCHEMBL1726499
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
463142Parathyroid hormone/parathyroid hormone-related peptide receptorQ03431PTH1RHomo sapiens (Human)593

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