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Ligand

NameSR-01000759093-1
Molecular formulaC19H21N5OS
IUPAC name1-(1-benzyl-2,5-dimethylpyrrol-3-yl)-2-(1-cyclopropyltetrazol-5-yl)sulfanylethanone
Molecular weight367.471
Hydrogen bond acceptor5
Hydrogen bond donor0
XlogP3.4
SynonymsAKOS033394523
Z151959124
1-(1-benzyl-2,5-dimethylpyrrol-3-yl)-2-(1-cyclopropyltetrazol-5-yl)sulfanylethanone
CHEMBL1522694
MolPort-004-159-873
[ Show all ]
Inchi KeyBYSREAPWUOQKKT-UHFFFAOYSA-N
Inchi IDInChI=1S/C19H21N5OS/c1-13-10-17(14(2)23(13)11-15-6-4-3-5-7-15)18(25)12-26-19-20-21-22-24(19)16-8-9-16/h3-7,10,16H,8-9,11-12H2,1-2H3
PubChem CID9362718
ChEMBLCHEMBL1522694
IUPHARN/A
BindingDB41703
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
36052Sphingosine 1-phosphate receptor 2O95136S1PR2Homo sapiens (Human)353

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