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Ligand

NameCHEMBL413711
Molecular formulaC33H35N3O4
IUPAC name(2S)-N-benzyl-4-methyl-2-[(3S,4R)-2-oxo-3-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-4-[(E)-2-phenylethenyl]azetidin-1-yl]pentanamide
Molecular weight537.66
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP5.5
SynonymsBDBM50202857
(S)-N-benzyl-4-methyl-2-((3S,4R)-2-oxo-3-((S)-2-oxo-4-phenyloxazolidin-3-yl)-4-((E)-styryl)azetidin-1-yl)pentanamide
Inchi KeyBLROIBUSJWTSHJ-PEINLMMJSA-N
Inchi IDInChI=1S/C33H35N3O4/c1-23(2)20-28(31(37)34-21-25-14-8-4-9-15-25)35-27(19-18-24-12-6-3-7-13-24)30(32(35)38)36-29(22-40-33(36)39)26-16-10-5-11-17-26/h3-19,23,27-30H,20-22H2,1-2H3,(H,34,37)/b19-18+/t27-,28+,29-,30+/m1/s1
PubChem CID44428427
ChEMBLCHEMBL413711
IUPHARN/A
BindingDB50202857
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
26914Vasopressin V1a receptorP37288AVPR1AHomo sapiens (Human)418

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