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Ligand

NameSR-01000759097-1
Molecular formulaC26H25N3O4
IUPAC name3'-[2-(1-benzyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione
Molecular weight443.503
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP3.3
Synonyms3''-[2-[2,5-dimethyl-1-(phenylmethyl)-3-pyrrolyl]-2-oxoethyl]spiro[3,4-dihydro-2H-1-benzopyran-4,5''-imidazolidine]-2'',4''-dione
cid_16318531
920593-11-9
3''-[2-(1-benzyl-2,5-dimethyl-pyrrol-3-yl)-2-keto-ethyl]spiro[chroman-4,5''-imidazolidine]-2'',4''-quinone
3''-[2-[2,5-dimethyl-1-(phenylmethyl)pyrrol-3-yl]-2-oxidanylidene-ethyl]spiro[2,3-dihydrochromene-4,5''-imidazolidine]-2'',4''-dione
[ Show all ]
Inchi KeyBOEDCQYIXGOQJR-UHFFFAOYSA-N
Inchi IDInChI=1S/C26H25N3O4/c1-17-14-20(18(2)28(17)15-19-8-4-3-5-9-19)22(30)16-29-24(31)26(27-25(29)32)12-13-33-23-11-7-6-10-21(23)26/h3-11,14H,12-13,15-16H2,1-2H3,(H,27,32)
PubChem CID16318531
ChEMBLCHEMBL1605618
IUPHARN/A
BindingDB41707
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
28713Sphingosine 1-phosphate receptor 2O95136S1PR2Homo sapiens (Human)353

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