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Name | 1-(4-phenethylbenzyl)azetidine-3-carboxylic acid |
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Molecular formula | C19H21NO2 |
IUPAC name | 1-[[4-(2-phenylethyl)phenyl]methyl]azetidine-3-carboxylic acid |
Molecular weight | 295.382 |
Hydrogen bond acceptor | 3 |
Hydrogen bond donor | 1 |
XlogP | 1.0 |
Synonyms | CHEMBL3741743 DWHWJBOQZGWGJN-UHFFFAOYSA-N SCHEMBL3027737 |
Inchi Key | DWHWJBOQZGWGJN-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C19H21NO2/c21-19(22)18-13-20(14-18)12-17-10-8-16(9-11-17)7-6-15-4-2-1-3-5-15/h1-5,8-11,18H,6-7,12-14H2,(H,21,22) |
PubChem CID | 59451883 |
ChEMBL | CHEMBL3741743 |
IUPHAR | N/A |
BindingDB | N/A |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
523601 | Sphingosine 1-phosphate receptor 1 | P21453 | S1PR1 | Homo sapiens (Human) | 382 |
523600 | Sphingosine 1-phosphate receptor 5 | Q9H228 | S1PR5 | Homo sapiens (Human) | 398 |
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