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Ligand

NameCHEMBL392166
Molecular formulaC33H44N4O5
IUPAC nametert-butyl 4-[[[2-[1-[2-(3-oxo-1,4-benzoxazin-4-yl)ethyl]piperidin-4-yl]benzoyl]amino]methyl]piperidine-1-carboxylate
Molecular weight576.738
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP4.2
Synonymstert-butyl 4-((2-(1-(2-(3-oxo-2,3-dihydrobenzo[b][1,4]oxazin-4-yl)ethyl)piperidin-4-yl)benzamido)methyl)piperidine-1-carboxylate
BDBM50224722
SCHEMBL4427693
Inchi KeyGJWSKEJCDDTARV-UHFFFAOYSA-N
Inchi IDInChI=1S/C33H44N4O5/c1-33(2,3)42-32(40)36-18-12-24(13-19-36)22-34-31(39)27-9-5-4-8-26(27)25-14-16-35(17-15-25)20-21-37-28-10-6-7-11-29(28)41-23-30(37)38/h4-11,24-25H,12-23H2,1-3H3,(H,34,39)
PubChem CID24804816
ChEMBLCHEMBL392166
IUPHARN/A
BindingDB50224722
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
98344Urotensin-2 receptorP49684Uts2rRattus norvegicus (Rat)386
98345Urotensin-2 receptorQ9UKP6UTS2RHomo sapiens (Human)389

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