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Ligand

NameCHEMBL244389
Molecular formulaC40H44F3N5O5
IUPAC name(2R)-5-oxo-2-[(3S,4R)-2-oxo-3-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-4-[(E)-2-phenylethenyl]azetidin-1-yl]-5-(4-propan-2-ylpiperazin-1-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]pentanamide
Molecular weight731.817
Hydrogen bond acceptor9
Hydrogen bond donor1
XlogP5.1
SynonymsBDBM50202897
(R)-N-(3-(trifluoromethyl)benzyl)-5-(4-isopropylpiperazin-1-yl)-5-oxo-2-((3S,4R)-2-oxo-3-((S)-2-oxo-4-phenyloxazolidin-3-yl)-4-((E)-styryl)azetidin-1-yl)pentanamide
Inchi KeyBRGWNGLOWPEQOP-MVJLNBOHSA-N
Inchi IDInChI=1S/C40H44F3N5O5/c1-27(2)45-20-22-46(23-21-45)35(49)19-18-33(37(50)44-25-29-12-9-15-31(24-29)40(41,42)43)47-32(17-16-28-10-5-3-6-11-28)36(38(47)51)48-34(26-53-39(48)52)30-13-7-4-8-14-30/h3-17,24,27,32-34,36H,18-23,25-26H2,1-2H3,(H,44,50)/b17-16+/t32-,33-,34-,36+/m1/s1
PubChem CID44428547
ChEMBLCHEMBL244389
IUPHARN/A
BindingDB50202897
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
30976Vasopressin V1a receptorP37288AVPR1AHomo sapiens (Human)418

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