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Name | CHEMBL3597616 |
---|---|
Molecular formula | C32H30ClNO5 |
IUPAC name | 2-[1-(carboxymethyl)-7-[2-[4-[4-(3-chloro-2-methylphenyl)butoxy]phenyl]ethynyl]-2-methylindol-3-yl]acetic acid |
Molecular weight | 544.044 |
Hydrogen bond acceptor | 5 |
Hydrogen bond donor | 2 |
XlogP | 7.2 |
Synonyms | BDBM50104883 2,2'-(2-Methyl-7-(4-(4-(2-methyl-3-chlorophenyl)butyl)oxyphenyl)ethynyl-1H-indole-1,3-diyl)bisacetic acid |
Inchi Key | NDHNPJAOYJVUSM-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C32H30ClNO5/c1-21-24(8-6-11-29(21)33)7-3-4-18-39-26-16-13-23(14-17-26)12-15-25-9-5-10-27-28(19-30(35)36)22(2)34(32(25)27)20-31(37)38/h5-6,8-11,13-14,16-17H,3-4,7,18-20H2,1-2H3,(H,35,36)(H,37,38) |
PubChem CID | 122183751 |
ChEMBL | CHEMBL3597616 |
IUPHAR | N/A |
BindingDB | 50104883 |
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 |
---|---|---|---|---|---|
490297 | Cysteinyl leukotriene receptor 1 | Q9Y271 | CYSLTR1 | Homo sapiens (Human) | 337 |
490298 | Cysteinyl leukotriene receptor 2 | Q9NS75 | CYSLTR2 | Homo sapiens (Human) | 346 |
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