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Ligand

NameCHEMBL397189
Molecular formulaC36H46N4O4
IUPAC name(4S)-3-[(3S,4R)-1-[(2S)-4-methyl-1-oxo-1-(4-piperidin-1-ylpiperidin-1-yl)pentan-2-yl]-2-oxo-4-[(E)-2-phenylethenyl]azetidin-3-yl]-4-phenyl-1,3-oxazolidin-2-one
Molecular weight598.788
Hydrogen bond acceptor5
Hydrogen bond donor0
XlogP5.6
SynonymsBDBM50202883
(S)-3-((3S,4R)-1-((S)-4-methyl-1-oxo-1-(4-(piperidin-1-yl)piperidin-1-yl)pentan-2-yl)-2-oxo-4-((E)-styryl)azetidin-3-yl)-4-phenyloxazolidin-2-one
Inchi KeyAPBIHLSOTXCQRP-IVDKHPMNSA-N
Inchi IDInChI=1S/C36H46N4O4/c1-26(2)24-31(34(41)38-22-18-29(19-23-38)37-20-10-5-11-21-37)39-30(17-16-27-12-6-3-7-13-27)33(35(39)42)40-32(25-44-36(40)43)28-14-8-4-9-15-28/h3-4,6-9,12-17,26,29-33H,5,10-11,18-25H2,1-2H3/b17-16+/t30-,31+,32-,33+/m1/s1
PubChem CID44428426
ChEMBLCHEMBL397189
IUPHARN/A
BindingDB50202883
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
10826Vasopressin V1a receptorP37288AVPR1AHomo sapiens (Human)418

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