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Name | Montelukast Gem-dimethylmethylene Analogue |
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Molecular formula | C35H38ClNO3S |
IUPAC name | 4-[(1R)-1-[3-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]phenyl]-3-[2-(2-hydroxypropan-2-yl)phenyl]propyl]sulfanyl-3,3-dimethylbutanoic acid |
Molecular weight | 588.203 |
Hydrogen bond acceptor | 5 |
Hydrogen bond donor | 2 |
XlogP | 8.3 |
Synonyms | BDBM50286260 J-009941 4-{(R)-1-{3-[(E)-2-(7-Chloro-quinolin-2-yl)-vinyl]-phenyl}-3-[2-(1-hydroxy-1-methyl-ethyl)-phenyl]-propylsulfanyl}-3,3-dimethyl-butyric acid ZINC26732938 [R-(E)]-3-[[[1-[3-[2-(7-Chloro-2-quinolinyl)ethenyl]phenyl]-3-[2-(1-hydroxy-1-methylethyl)phenyl]propyl]thio]methyl]-3-methylbutanoic Acid [ Show all ] |
Inchi Key | AQCSHUUQIJHHLI-FQUAKNSKSA-N |
Inchi ID | InChI=1S/C35H38ClNO3S/c1-34(2,22-33(38)39)23-41-32(19-15-25-9-5-6-11-30(25)35(3,4)40)27-10-7-8-24(20-27)12-17-29-18-14-26-13-16-28(36)21-31(26)37-29/h5-14,16-18,20-21,32,40H,15,19,22-23H2,1-4H3,(H,38,39)/b17-12+/t32-/m1/s1 |
PubChem CID | 10099896 |
ChEMBL | CHEMBL99775 |
IUPHAR | N/A |
BindingDB | 50286260 |
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 |
---|---|---|---|---|---|
11572 | Cysteinyl leukotriene receptor 1 | Q2NNR5 | CYSLTR1 | Cavia porcellus (Guinea pig) | 340 |
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