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Name | MLS000028864 |
---|---|
Molecular formula | C22H35NO3 |
IUPAC name | (5R)-6-[6-[(1E,3S,5Z)-3-hydroxyundeca-1,5-dienyl]pyridin-2-yl]hexane-1,5-diol |
Molecular weight | 361.526 |
Hydrogen bond acceptor | 4 |
Hydrogen bond donor | 3 |
XlogP | 4.1 |
Synonyms | 1,5-Hexanediol,6-[6-[(1E,3R,5Z)-3-hydroxy-1,5-undecadien-1-yl]-2-pyridinyl]-,(5S)- HMS2234C08 AC1OAA1D SMR000058935 (5R)-6-[6-[(1E,3S,5Z)-3-hydroxyundeca-1,5-dienyl]pyridin-2-yl]hexane-1,5-diol [ Show all ] |
Inchi Key | JNBOAUIJLDEICX-DWJNXXKWSA-N |
Inchi ID | InChI=1S/C22H35NO3/c1-2-3-4-5-6-7-13-21(25)16-15-19-11-10-12-20(23-19)18-22(26)14-8-9-17-24/h6-7,10-12,15-16,21-22,24-26H,2-5,8-9,13-14,17-18H2,1H3/b7-6-,16-15+/t21-,22+/m0/s1 |
PubChem CID | 6852392 |
ChEMBL | CHEMBL1256923 |
IUPHAR | N/A |
BindingDB | 79408 |
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 |
---|---|---|---|---|---|
154964 | Leukotriene B4 receptor 1 | Q15722 | LTB4R | Homo sapiens (Human) | 352 |
460617 | Leukotriene B4 receptor 2 | Q9NPC1 | LTB4R2 | Homo sapiens (Human) | 358 |
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