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Name | CHEMBL563165 |
---|---|
Molecular formula | C31H28ClN3O2 |
IUPAC name | 3-[[1-[[3-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]phenyl]methyl]indol-3-yl]methyl-methylamino]propanoic acid |
Molecular weight | 510.034 |
Hydrogen bond acceptor | 4 |
Hydrogen bond donor | 1 |
XlogP | 3.8 |
Synonyms | BDBM50296098 3-(((1-(3-(2-(7-chloroquinolin-2-yl)vinyl)benzyl)-1H-indol-3-yl)methyl)(methyl)amino)propanoic acid |
Inchi Key | CNIJJXTUVIHAOG-UKTHLTGXSA-N |
Inchi ID | InChI=1S/C31H28ClN3O2/c1-34(16-15-31(36)37)20-25-21-35(30-8-3-2-7-28(25)30)19-23-6-4-5-22(17-23)9-13-27-14-11-24-10-12-26(32)18-29(24)33-27/h2-14,17-18,21H,15-16,19-20H2,1H3,(H,36,37)/b13-9+ |
PubChem CID | 45267388 |
ChEMBL | CHEMBL563165 |
IUPHAR | N/A |
BindingDB | 50296098 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand is heavier than 500 daltons. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
46061 | Cysteinyl leukotriene receptor 1 | Q2NNR5 | CYSLTR1 | Cavia porcellus (Guinea pig) | 340 |
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