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Name | CHEMBL295281 |
---|---|
Molecular formula | C32H37NO3S2 |
IUPAC name | 2-[1-[[(1R)-1-[3-[(E)-2-(4-cyclopropyl-1,3-thiazol-2-yl)ethenyl]phenyl]-3-[2-(2-hydroxypropan-2-yl)phenyl]propyl]sulfanylmethyl]cyclopropyl]acetic acid |
Molecular weight | 547.772 |
Hydrogen bond acceptor | 6 |
Hydrogen bond donor | 2 |
XlogP | 6.4 |
Synonyms | BDBM50284890 (1-{(R)-1-{3-[(E)-2-(4-Cyclopropyl-thiazol-2-yl)-vinyl]-phenyl}-3-[2-(1-hydroxy-1-methyl-ethyl)-phenyl]-propylsulfanylmethyl}-cyclopropyl)-acetic acid |
Inchi Key | FBFZTGWXXCGIHM-MGUPHCMFSA-N |
Inchi ID | InChI=1S/C32H37NO3S2/c1-31(2,36)26-9-4-3-7-23(26)13-14-28(38-21-32(16-17-32)19-30(34)35)25-8-5-6-22(18-25)10-15-29-33-27(20-37-29)24-11-12-24/h3-10,15,18,20,24,28,36H,11-14,16-17,19,21H2,1-2H3,(H,34,35)/b15-10+/t28-/m1/s1 |
PubChem CID | 44288430 |
ChEMBL | CHEMBL295281 |
IUPHAR | N/A |
BindingDB | 50284890 |
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 |
---|---|---|---|---|---|
74147 | Cysteinyl leukotriene receptor 1 | Q2NNR5 | CYSLTR1 | Cavia porcellus (Guinea pig) | 340 |
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