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Ligand

NameCHEMBL194432
Molecular formulaC31H39N3O3
IUPAC name(2R)-2-[(2R,5R)-5-(2,3-dihydro-1H-inden-2-yl)-2-(2-methylpropyl)-3,6-dioxo-4-prop-2-enylpiperazin-1-yl]-2-phenyl-N-propan-2-ylacetamide
Molecular weight501.671
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP5.5
SynonymsBDBM50002414
Inchi KeyBCIHGEOQOWIYMY-JCYYIGJDSA-N
Inchi IDInChI=1S/C31H39N3O3/c1-6-16-33-28(25-18-23-14-10-11-15-24(23)19-25)31(37)34(26(30(33)36)17-20(2)3)27(29(35)32-21(4)5)22-12-8-7-9-13-22/h6-15,20-21,25-28H,1,16-19H2,2-5H3,(H,32,35)/t26-,27-,28-/m1/s1
PubChem CID11598556
ChEMBLCHEMBL194432
IUPHARN/A
BindingDB50002414
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: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
20238Oxytocin receptorP30559OXTRHomo sapiens (Human)389

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