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Name | CHEMBL416344 |
---|---|
Molecular formula | C29H33ClNNaO3S |
IUPAC name | sodium;(2R,6S)-6-[3-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]phenyl]-6-(3-hydroxy-3-methylbutyl)sulfanyl-2-methylhexanoate |
Molecular weight | 534.087 |
Hydrogen bond acceptor | 5 |
Hydrogen bond donor | 1 |
XlogP | None |
Synonyms | N/A |
Inchi Key | CZPNMJZEIGJUET-SFRWUXESSA-M |
Inchi ID | InChI=1S/C29H34ClNO3S.Na/c1-20(28(32)33)6-4-9-27(35-17-16-29(2,3)34)23-8-5-7-21(18-23)10-14-25-15-12-22-11-13-24(30)19-26(22)31-25;/h5,7-8,10-15,18-20,27,34H,4,6,9,16-17H2,1-3H3,(H,32,33);/q;+1/p-1/b14-10+;/t20-,27+;/m1./s1 |
PubChem CID | 44269385 |
ChEMBL | CHEMBL416344 |
IUPHAR | N/A |
BindingDB | N/A |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand is heavier than 500 daltons. Partition coefficient log P of this ligand is not available. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
54533 | Cysteinyl leukotriene receptor 1 | Q2NNR5 | CYSLTR1 | Cavia porcellus (Guinea pig) | 340 |
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