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Name | CHEMBL169683 |
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Molecular formula | C29H36N2O6 |
IUPAC name | 7-[3-[3-methoxy-2-propyl-4-(1H-pyrazol-5-yl)phenoxy]propoxy]-8-propyl-3,4-dihydro-2H-chromene-2-carboxylic acid |
Molecular weight | 508.615 |
Hydrogen bond acceptor | 7 |
Hydrogen bond donor | 2 |
XlogP | 6.5 |
Synonyms | AESKNIDTRUWFAG-UHFFFAOYSA-N 7-[3-[2-Propyl-3-methoxy-4-(2H-pyrazol-3-yl)phenoxy]propoxy]-8-propyl-3,4-dihydro-2H-1-benzopyran-2-carboxylic acid BDBM50033758 L005666 3,4-Dihydro-7-[3-[3-methoxy-2-propyl-4-(1H-pyrazol-3-yl)phenoxy]propoxy]-8-propyl-2H-1-benzopyran-2-carboxylic acid [ Show all ] |
Inchi Key | AESKNIDTRUWFAG-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C29H36N2O6/c1-4-7-21-24(12-9-19-10-13-26(29(32)33)37-27(19)21)35-17-6-18-36-25-14-11-20(23-15-16-30-31-23)28(34-3)22(25)8-5-2/h9,11-12,14-16,26H,4-8,10,13,17-18H2,1-3H3,(H,30,31)(H,32,33) |
PubChem CID | 9849151 |
ChEMBL | CHEMBL169683 |
IUPHAR | N/A |
BindingDB | 50033758 |
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 |
---|---|---|---|---|---|
3818 | Leukotriene B4 receptor 1 | Q15722 | LTB4R | Homo sapiens (Human) | 352 |
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