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Name | CHEMBL3597624 |
---|---|
Molecular formula | C36H38ClNO5 |
IUPAC name | 4-[1-(3-carboxypropyl)-7-[2-[4-[4-(3-chloro-2-methylphenyl)butoxy]phenyl]ethynyl]-2-methylindol-3-yl]butanoic acid |
Molecular weight | 600.152 |
Hydrogen bond acceptor | 5 |
Hydrogen bond donor | 2 |
XlogP | 8.0 |
Synonyms | SCHEMBL598562 4,4'-(2-Methyl-7-(4-(4-(2-methyl-3-chlorophenyl)butyl)oxyphenyl)ethynyl-1H-indole-1,3-diyl)bisbutyric acid BDBM50104911 |
Inchi Key | FHIWKHKLAOPBDE-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C36H38ClNO5/c1-25-28(10-6-14-33(25)37)9-3-4-24-43-30-21-18-27(19-22-30)17-20-29-11-5-13-32-31(12-7-15-34(39)40)26(2)38(36(29)32)23-8-16-35(41)42/h5-6,10-11,13-14,18-19,21-22H,3-4,7-9,12,15-16,23-24H2,1-2H3,(H,39,40)(H,41,42) |
PubChem CID | 46834997 |
ChEMBL | CHEMBL3597624 |
IUPHAR | N/A |
BindingDB | 50104911 |
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 |
---|---|---|---|---|---|
472559 | Cysteinyl leukotriene receptor 1 | Q9Y271 | CYSLTR1 | Homo sapiens (Human) | 337 |
472560 | Cysteinyl leukotriene receptor 1 | Q2NNR5 | CYSLTR1 | Cavia porcellus (Guinea pig) | 340 |
472561 | Cysteinyl leukotriene receptor 2 | Q9NS75 | CYSLTR2 | Homo sapiens (Human) | 346 |
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