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Name | CHEMBL429975 |
---|---|
Molecular formula | C38H36ClN2O6S2- |
IUPAC name | 2-[[1-[3-[(7-chloroquinolin-2-yl)methoxy]phenyl]-3-[2-[(2-methylphenyl)sulfonylcarbamoyl]phenyl]propyl]sulfanylmethyl]butanoate |
Molecular weight | 716.284 |
Hydrogen bond acceptor | 8 |
Hydrogen bond donor | 1 |
XlogP | 9.0 |
Synonyms | Sodium; 2-{1-[3-(7-chloro-quinolin-2-ylmethoxy)-phenyl]-3-[2-(toluene-2-sulfonylaminocarbonyl)-phenyl]-propylsulfanylmethyl}-butyrate BDBM50280688 |
Inchi Key | BGWKUVIKPAIWNA-UHFFFAOYSA-M |
Inchi ID | InChI=1S/C38H37ClN2O6S2/c1-3-26(38(43)44)24-48-35(29-11-8-12-32(21-29)47-23-31-19-16-28-15-18-30(39)22-34(28)40-31)20-17-27-10-5-6-13-33(27)37(42)41-49(45,46)36-14-7-4-9-25(36)2/h4-16,18-19,21-22,26,35H,3,17,20,23-24H2,1-2H3,(H,41,42)(H,43,44)/p-1 |
PubChem CID | 91934668 |
ChEMBL | N/A |
IUPHAR | N/A |
BindingDB | 50280688 |
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 |
---|---|---|---|---|---|
23481 | Cysteinyl leukotriene receptor 1 | Q2NNR5 | CYSLTR1 | Cavia porcellus (Guinea pig) | 340 |
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