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Ligand

NameCHEMBL2037491
Molecular formulaC27H34N4O3
IUPAC name(2R)-2-[(2R,5R)-5-(2,3-dihydro-1H-inden-2-yl)-2-(2-methylpropyl)-3,6-dioxopiperazin-1-yl]-N,N-dimethyl-2-(6-methylpyridin-3-yl)acetamide
Molecular weight462.594
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP3.4
SynonymsBDBM50384810
SCHEMBL1598659
Inchi KeyBAQGLPQNBUWWSQ-WXFUMESZSA-N
Inchi IDInChI=1S/C27H34N4O3/c1-16(2)12-22-25(32)29-23(21-13-18-8-6-7-9-19(18)14-21)26(33)31(22)24(27(34)30(4)5)20-11-10-17(3)28-15-20/h6-11,15-16,21-24H,12-14H2,1-5H3,(H,29,32)/t22-,23-,24-/m1/s1
PubChem CID56949905
ChEMBLCHEMBL2037491
IUPHARN/A
BindingDB50384810
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

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Total entries: 1
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GLASS IDNameUniProtGeneSpeciesLength
19074Oxytocin receptorP30559OXTRHomo sapiens (Human)389

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