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Name | CHEMBL1094348 |
---|---|
Molecular formula | C38H39FO8 |
IUPAC name | 4-[3-[6-[3-(1,3-benzodioxol-5-yl)-5-(3-fluorophenyl)phenoxy]hexyl]-2-(2-carboxyethyl)phenoxy]butanoic acid |
Molecular weight | 642.72 |
Hydrogen bond acceptor | 9 |
Hydrogen bond donor | 2 |
XlogP | 8.4 |
Synonyms | SCHEMBL1689717 4-(3-(6-(5-(benzo[d][1,3]dioxol-5-yl)-3''-fluorobiphenyl-3-yloxy)hexyl)-2-(2-carboxyethyl)phenoxy)butanoic acid BDBM50317623 NMNJWRKGTYNGSA-UHFFFAOYSA-N 4-{3-[6-(5-benzo[1,3]dioxol-5-yl-3'-fluoro-biphenyl-3-yloxy)-hexyl]-2-(2-carboxy-ethyl)-phenoxy}-butyric acid |
Inchi Key | NMNJWRKGTYNGSA-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C38H39FO8/c39-31-11-5-10-27(21-31)29-20-30(28-14-16-35-36(24-28)47-25-46-35)23-32(22-29)44-18-4-2-1-3-8-26-9-6-12-34(33(26)15-17-38(42)43)45-19-7-13-37(40)41/h5-6,9-12,14,16,20-24H,1-4,7-8,13,15,17-19,25H2,(H,40,41)(H,42,43) |
PubChem CID | 25192471 |
ChEMBL | CHEMBL1094348 |
IUPHAR | N/A |
BindingDB | 50317623 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand is heavier than 500 daltons. This ligand has a partition coefficient log P greater than 5. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
227071 | Leukotriene B4 receptor 1 | Q15722 | LTB4R | Homo sapiens (Human) | 352 |
227070 | Leukotriene B4 receptor 2 | Q9NPC1 | LTB4R2 | Homo sapiens (Human) | 358 |
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