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Ligand

NameCHEMBL372554
Molecular formulaC31H40N4O4
IUPAC name(2R)-2-(4-acetamidophenyl)-N-tert-butyl-2-[(2R,5R)-5-(2,3-dihydro-1H-inden-2-yl)-2-(2-methylpropyl)-3,6-dioxopiperazin-1-yl]acetamide
Molecular weight532.685
Hydrogen bond acceptor4
Hydrogen bond donor3
XlogP4.1
SynonymsBDBM50002413
Inchi KeyAUWMENUQFJRYPU-ZONZVBGPSA-N
Inchi IDInChI=1S/C31H40N4O4/c1-18(2)15-25-28(37)33-26(23-16-21-9-7-8-10-22(21)17-23)30(39)35(25)27(29(38)34-31(4,5)6)20-11-13-24(14-12-20)32-19(3)36/h7-14,18,23,25-27H,15-17H2,1-6H3,(H,32,36)(H,33,37)(H,34,38)/t25-,26-,27-/m1/s1
PubChem CID11685194
ChEMBLCHEMBL372554
IUPHARN/A
BindingDB50002413
DrugBankN/A

Structure

SDF download

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

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
15032Oxytocin receptorP30559OXTRHomo sapiens (Human)389

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