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Name | SMR000047194 |
---|---|
Molecular formula | C16H9N5O3 |
IUPAC name | 7-(5-methyl-1,2-oxazol-3-yl)-2,6-dioxo-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carbonitrile |
Molecular weight | 319.28 |
Hydrogen bond acceptor | 6 |
Hydrogen bond donor | 0 |
XlogP | 0.6 |
Synonyms | 1-(5-methyl-3-isoxazolyl)-2,5-dioxo-3-dipyrido[1,2-d:3'',4''-f]pyrimidinecarbonitrile C16H9N5O3 7-(5-methyl-1,2-oxazol-3-yl)-2,6-dioxo-1,7,9-triazatricyclo[8.4.0.0^{3,8}]tetradeca-3(8),4,9,11,13-pentaene-5-carbonitrile cid_665938 ZINC2433856 [ Show all ] |
Inchi Key | CSWJXYZMNHKYEL-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C16H9N5O3/c1-9-6-13(19-24-9)21-14-11(7-10(8-17)15(21)22)16(23)20-5-3-2-4-12(20)18-14/h2-7H,1H3 |
PubChem CID | 665938 |
ChEMBL | CHEMBL1362307 |
IUPHAR | N/A |
BindingDB | 30784 |
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 |
---|---|---|---|---|---|
49822 | 5-hydroxytryptamine receptor 1A | P08908 | HTR1A | Homo sapiens (Human) | 422 |
49820 | Sphingosine 1-phosphate receptor 1 | P21453 | S1PR1 | Homo sapiens (Human) | 382 |
49821 | Sphingosine 1-phosphate receptor 3 | Q99500 | S1PR3 | Homo sapiens (Human) | 378 |
49823 | Sphingosine 1-phosphate receptor 4 | O95977 | S1PR4 | Homo sapiens (Human) | 384 |
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