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Ligand

NameCHEMBL2431716
Molecular formulaC30H42N4O4
IUPAC nameN-[(2S)-3-cyclohexyl-1-[[(2S,3S)-3-methyl-1-oxo-1-(4-phenylpiperidin-1-yl)pentan-2-yl]amino]-1-oxopropan-2-yl]-1,2-oxazole-5-carboxamide
Molecular weight522.69
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP5.9
SynonymsBDBM50440863
SCHEMBL15120109
Inchi KeyGIXATDRQTJETRE-NOOLENRPSA-N
Inchi IDInChI=1S/C30H42N4O4/c1-3-21(2)27(30(37)34-18-15-24(16-19-34)23-12-8-5-9-13-23)33-28(35)25(20-22-10-6-4-7-11-22)32-29(36)26-14-17-31-38-26/h5,8-9,12-14,17,21-22,24-25,27H,3-4,6-7,10-11,15-16,18-20H2,1-2H3,(H,32,36)(H,33,35)/t21-,25-,27-/m0/s1
PubChem CID56640042
ChEMBLCHEMBL2431716
IUPHARN/A
BindingDB50440863
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
97653Proteinase-activated receptor 2P55085F2RL1Homo sapiens (Human)397

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