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Name | CHEMBL344169 |
---|---|
Molecular formula | C35H43NO3S |
IUPAC name | 2-[1-[[(1R)-3-[2-(2-hydroxypropan-2-yl)phenyl]-1-[3-[(E)-2-(5-methyl-6-propan-2-ylpyridin-2-yl)ethenyl]phenyl]propyl]sulfanylmethyl]cyclopropyl]acetic acid |
Molecular weight | 557.793 |
Hydrogen bond acceptor | 5 |
Hydrogen bond donor | 2 |
XlogP | 7.3 |
Synonyms | BDBM50069361 [1-((R)-3-[2-(1-Hydroxy-1-methyl-ethyl)-phenyl]-1-{3-[(E)-2-(6-isopropyl-5-methyl-pyridin-2-yl)-vinyl]-phenyl}-propylsulfanylmethyl)-cyclopropyl]-acetic acid (R)-2-(1-((3-(2-(2-hydroxypropan-2-yl)phenyl)-1-(3-(2-(6-isopropyl-5-methylpyridin-2-yl)vinyl)phenyl)propylthio)methyl)cyclopropyl)acetic acid |
Inchi Key | BPSQDOLGQQVYNF-NSQLZQESSA-N |
Inchi ID | InChI=1S/C35H43NO3S/c1-24(2)33-25(3)13-16-29(36-33)17-14-26-9-8-11-28(21-26)31(40-23-35(19-20-35)22-32(37)38)18-15-27-10-6-7-12-30(27)34(4,5)39/h6-14,16-17,21,24,31,39H,15,18-20,22-23H2,1-5H3,(H,37,38)/b17-14+/t31-/m1/s1 |
PubChem CID | 44360752 |
ChEMBL | CHEMBL344169 |
IUPHAR | N/A |
BindingDB | 50069361 |
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 |
---|---|---|---|---|---|
29861 | Cysteinyl leukotriene receptor 1 | Q9Y271 | CYSLTR1 | Homo sapiens (Human) | 337 |
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