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Name | CHEMBL40836 |
---|---|
Molecular formula | C36H39NO4S2 |
IUPAC name | 2-[1-[[(1R)-3-[2-(2-hydroxypropan-2-yl)phenyl]-1-[3-[(E)-2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]ethenyl]phenyl]propyl]sulfanylmethyl]cyclopropyl]acetic acid |
Molecular weight | 613.831 |
Hydrogen bond acceptor | 7 |
Hydrogen bond donor | 2 |
XlogP | 7.5 |
Synonyms | BDBM50284889 {1-[(R)-3-[2-(1-Hydroxy-1-methyl-ethyl)-phenyl]-1-(3-{(E)-2-[4-(4-methoxy-phenyl)-thiazol-2-yl]-vinyl}-phenyl)-propylsulfanylmethyl]-cyclopropyl}-acetic acid |
Inchi Key | ABUORUUTGDPPSU-CFGRSBKHSA-N |
Inchi ID | InChI=1S/C36H39NO4S2/c1-35(2,40)30-10-5-4-8-26(30)14-17-32(43-24-36(19-20-36)22-34(38)39)28-9-6-7-25(21-28)11-18-33-37-31(23-42-33)27-12-15-29(41-3)16-13-27/h4-13,15-16,18,21,23,32,40H,14,17,19-20,22,24H2,1-3H3,(H,38,39)/b18-11+/t32-/m1/s1 |
PubChem CID | 44288613 |
ChEMBL | CHEMBL40836 |
IUPHAR | N/A |
BindingDB | 50284889 |
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 |
---|---|---|---|---|---|
1196 | Cysteinyl leukotriene receptor 1 | Q2NNR5 | CYSLTR1 | Cavia porcellus (Guinea pig) | 340 |
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