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Ligand

NameCHEMBL237879
Molecular formulaC34H45ClN4O4
IUPAC name5-chloro-N-[[1-(3,3-dimethylbutanoyl)piperidin-4-yl]methyl]-2-[1-[2-(3-oxo-1,4-benzoxazin-4-yl)ethyl]piperidin-4-yl]benzamide
Molecular weight609.208
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP5.1
SynonymsBDBM50224717
SCHEMBL4438101
5-chloro-N-((1-(3,3-dimethylbutanoyl)piperidin-4-yl)methyl)-2-(1-(2-(3-oxo-2,3-dihydrobenzo[b][1,4]oxazin-4-yl)ethyl)piperidin-4-yl)benzamide
Inchi KeyGGZLXDQZCPDNHC-UHFFFAOYSA-N
Inchi IDInChI=1S/C34H45ClN4O4/c1-34(2,3)21-31(40)38-16-10-24(11-17-38)22-36-33(42)28-20-26(35)8-9-27(28)25-12-14-37(15-13-25)18-19-39-29-6-4-5-7-30(29)43-23-32(39)41/h4-9,20,24-25H,10-19,21-23H2,1-3H3,(H,36,42)
PubChem CID24804324
ChEMBLCHEMBL237879
IUPHARN/A
BindingDB50224717
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
96238Urotensin-2 receptorQ9UKP6UTS2RHomo sapiens (Human)389
96239Urotensin-2 receptorP49684Uts2rRattus norvegicus (Rat)386

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