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Name | CHEMBL1170894 |
---|---|
Molecular formula | C29H26FN5O4 |
IUPAC name | N-[3-cyano-4-[3-[3-(dimethylamino)butanoylamino]phenyl]-6-(4-fluoro-2-hydroxyphenyl)pyridin-2-yl]furan-2-carboxamide |
Molecular weight | 527.556 |
Hydrogen bond acceptor | 8 |
Hydrogen bond donor | 3 |
XlogP | 4.3 |
Synonyms | BDBM50322311 rac-N-[3-Cyano-4-(3-{[3-(dimethylamino)butanoyl]amino}phenyl)-6-(4-fluoro-2-hydroxyphenyl)pyridin-2-yl]furan-2-carboxamide SCHEMBL13802148 |
Inchi Key | HFPGCDPLKGDCOD-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C29H26FN5O4/c1-17(35(2)3)12-27(37)32-20-7-4-6-18(13-20)22-15-24(21-10-9-19(30)14-25(21)36)33-28(23(22)16-31)34-29(38)26-8-5-11-39-26/h4-11,13-15,17,36H,12H2,1-3H3,(H,32,37)(H,33,34,38) |
PubChem CID | 136016477 |
ChEMBL | CHEMBL1170894 |
IUPHAR | N/A |
BindingDB | 50322311 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand is heavier than 500 daltons. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
560822 | KiSS-1 receptor | Q969F8 | KISS1R | Homo sapiens (Human) | 398 |
zhanglabzhanggroup.org | (734) 647-1549 | 100 Washtenaw Avenue, Ann Arbor, MI 48109-2218