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Name | CHEMBL348229 |
---|---|
Molecular formula | C37H45NO3S |
IUPAC name | 2-[1-[[(1R)-1-[3-[(E)-2-(8,8-dimethyl-6,7-dihydro-5H-quinolin-2-yl)ethenyl]phenyl]-3-[2-(2-hydroxypropan-2-yl)phenyl]propyl]sulfanylmethyl]cyclopropyl]acetic acid |
Molecular weight | 583.831 |
Hydrogen bond acceptor | 5 |
Hydrogen bond donor | 2 |
XlogP | 7.9 |
Synonyms | BDBM50069371 (1-{(R)-1-{3-[(E)-2-(8,8-Dimethyl-5,6,7,8-tetrahydro-quinolin-2-yl)-vinyl]-phenyl}-3-[2-(1-hydroxy-1-methyl-ethyl)-phenyl]-propylsulfanylmethyl}-cyclopropyl)-acetic acid |
Inchi Key | IBDAOFPNZMUFAK-CGNAPUSOSA-N |
Inchi ID | InChI=1S/C37H45NO3S/c1-35(2)20-8-12-28-15-18-30(38-34(28)35)17-14-26-9-7-11-29(23-26)32(42-25-37(21-22-37)24-33(39)40)19-16-27-10-5-6-13-31(27)36(3,4)41/h5-7,9-11,13-15,17-18,23,32,41H,8,12,16,19-22,24-25H2,1-4H3,(H,39,40)/b17-14+/t32-/m1/s1 |
PubChem CID | 44360844 |
ChEMBL | CHEMBL348229 |
IUPHAR | N/A |
BindingDB | 50069371 |
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 |
---|---|---|---|---|---|
128982 | Cysteinyl leukotriene receptor 1 | Q9Y271 | CYSLTR1 | Homo sapiens (Human) | 337 |
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