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Name | GR-159897 |
---|---|
Molecular formula | C23H27FN2O2S |
IUPAC name | 5-fluoro-3-[2-[4-methoxy-4-[[(R)-phenylsulfinyl]methyl]piperidin-1-yl]ethyl]-1H-indole |
Molecular weight | 414.539 |
Hydrogen bond acceptor | 5 |
Hydrogen bond donor | 1 |
XlogP | 3.4 |
Synonyms | 5-fluoro-3-[2-[4-methoxy-4-[[(R)-phenylsulfinyl]methyl]piperidin-1-yl]ethyl]-1H-indole CHEBI:92912 KB-309739 (r)-1-[2-(5-fluoro-1h-indol-3-yl) ethyl]-4-methoxy -4-[(phenyl-sulfinyl)methyl]-piperidine 5-Fluoro-3-[2-[4-methoxy-4-[[?-phenylsulphinyl]methyl]-1-piperidinyl]ethyl]-1H-indole [ Show all ] |
Inchi Key | BANYJBHWTOJQDU-GDLZYMKVSA-N |
Inchi ID | InChI=1S/C23H27FN2O2S/c1-28-23(17-29(27)20-5-3-2-4-6-20)10-13-26(14-11-23)12-9-18-16-25-22-8-7-19(24)15-21(18)22/h2-8,15-16,25H,9-14,17H2,1H3/t29-/m1/s1 |
PubChem CID | 9953599 |
ChEMBL | CHEMBL2110370 |
IUPHAR | 2115 |
BindingDB | 50212987 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
19023 | Neuromedin-K receptor | P30098 | TACR3 | Cavia porcellus (Guinea pig) | 440 |
19021 | Substance-K receptor | Q64077 | TACR2 | Cavia porcellus (Guinea pig) | 402 |
19022 | Substance-K receptor | P21452 | TACR2 | Homo sapiens (Human) | 398 |
19024 | Substance-K receptor | P16610 | Tacr2 | Rattus norvegicus (Rat) | 390 |
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