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Name | CHEMBL143115 |
---|---|
Molecular formula | C34H38F3NO3S |
IUPAC name | 2-[1-[[(1R)-1-[3-[(E)-2-[6-ethyl-5-(trifluoromethyl)pyridin-2-yl]ethenyl]phenyl]-3-[2-(2-hydroxypropan-2-yl)phenyl]propyl]sulfanylmethyl]cyclopropyl]acetic acid |
Molecular weight | 597.737 |
Hydrogen bond acceptor | 8 |
Hydrogen bond donor | 2 |
XlogP | 7.5 |
Synonyms | (1-{(R)-1-{3-[(E)-2-(6-Ethyl-5-trifluoromethyl-pyridin-2-yl)-vinyl]-phenyl}-3-[2-(1-hydroxy-1-methyl-ethyl)-phenyl]-propylsulfanylmethyl}-cyclopropyl)-acetic acid BDBM50069362 (R)-2-(1-((1-(3-(2-(6-ethyl-5-(trifluoromethyl)pyridin-2-yl)vinyl)phenyl)-3-(2-(2-hydroxypropan-2-yl)phenyl)propylthio)methyl)cyclopropyl)acetic acid |
Inchi Key | ITUHVJQASQRAST-NBIVFMIFSA-N |
Inchi ID | InChI=1S/C34H38F3NO3S/c1-4-29-28(34(35,36)37)16-15-26(38-29)14-12-23-8-7-10-25(20-23)30(42-22-33(18-19-33)21-31(39)40)17-13-24-9-5-6-11-27(24)32(2,3)41/h5-12,14-16,20,30,41H,4,13,17-19,21-22H2,1-3H3,(H,39,40)/b14-12+/t30-/m1/s1 |
PubChem CID | 44360895 |
ChEMBL | CHEMBL143115 |
IUPHAR | N/A |
BindingDB | 50069362 |
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 |
---|---|---|---|---|---|
141612 | Cysteinyl leukotriene receptor 1 | Q9Y271 | CYSLTR1 | Homo sapiens (Human) | 337 |
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