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Ligand

NameCHEMBL271039
Molecular formulaC27H34N4O5
IUPAC name(3R,6R)-3-(2,3-dihydro-1H-inden-2-yl)-1-[(1R)-1-(2-methyl-1,3-oxazol-4-yl)-2-morpholin-4-yl-2-oxoethyl]-6-(2-methylpropyl)piperazine-2,5-dione
Molecular weight494.592
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP2.6
SynonymsBDBM50372616
SCHEMBL3929376
Inchi KeyCDBUNSHQNIFGRK-WXFUMESZSA-N
Inchi IDInChI=1S/C27H34N4O5/c1-16(2)12-22-25(32)29-23(20-13-18-6-4-5-7-19(18)14-20)26(33)31(22)24(21-15-36-17(3)28-21)27(34)30-8-10-35-11-9-30/h4-7,15-16,20,22-24H,8-14H2,1-3H3,(H,29,32)/t22-,23-,24-/m1/s1
PubChem CID11260438
ChEMBLCHEMBL271039
IUPHARN/A
BindingDBN/A
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
39146Oxytocin receptorP30559OXTRHomo sapiens (Human)389

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