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Name | CHEMBL24505 |
---|---|
Molecular formula | C31H29F6N3O5S |
IUPAC name | 3-[[2-methoxy-4-[(2-methylphenyl)sulfonylcarbamoyl]phenyl]methyl]-1-methyl-N-[4,4,4-trifluoro-3-(trifluoromethyl)butyl]indole-5-carboxamide |
Molecular weight | 669.639 |
Hydrogen bond acceptor | 11 |
Hydrogen bond donor | 2 |
XlogP | 6.8 |
Synonyms | 1-Methyl-3-[2-methoxy-4-[[(2-methylphenyl)sulfonyl]carbamoyl]benzyl]-N-(3-trifluoromethyl-4,4,4-trifluorobutyl)-1H-indole-5-carboxamide BDBM50041350 3-[2-Methoxy-4-(toluene-2-sulfonylaminocarbonyl)-benzyl]-1-methyl-1H-indole-5-carboxylic acid (4,4,4-trifluoro-3-trifluoromethyl-butyl)-amide |
Inchi Key | DCILEHAEHCZYLS-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C31H29F6N3O5S/c1-18-6-4-5-7-26(18)46(43,44)39-29(42)21-9-8-19(25(16-21)45-3)14-22-17-40(2)24-11-10-20(15-23(22)24)28(41)38-13-12-27(30(32,33)34)31(35,36)37/h4-11,15-17,27H,12-14H2,1-3H3,(H,38,41)(H,39,42) |
PubChem CID | 10417026 |
ChEMBL | CHEMBL24505 |
IUPHAR | N/A |
BindingDB | 50041350 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand has more than 10 hydrogen bond acceptor. 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 |
---|---|---|---|---|---|
56380 | Cysteinyl leukotriene receptor 1 | Q2NNR5 | CYSLTR1 | Cavia porcellus (Guinea pig) | 340 |
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