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Name | CHEMBL1171797 |
---|---|
Molecular formula | C32H32FN5O4 |
IUPAC name | N-[3-cyano-4-[3-[3-(diethylamino)pentanoylamino]phenyl]-6-(4-fluoro-2-hydroxyphenyl)pyridin-2-yl]furan-2-carboxamide |
Molecular weight | 569.637 |
Hydrogen bond acceptor | 8 |
Hydrogen bond donor | 3 |
XlogP | 5.6 |
Synonyms | BDBM50322314 rac-N-[3-Cyano-4-(3-{[3-(diethylamino)pentanoyl]amino}phenyl)-6-(4-fluoro-2-hydroxyphenyl)pyridin-2-yl]furan-2-carboxamide SCHEMBL13802091 |
Inchi Key | BXTVJJPJKSYGAH-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C32H32FN5O4/c1-4-23(38(5-2)6-3)17-30(40)35-22-10-7-9-20(15-22)25-18-27(24-13-12-21(33)16-28(24)39)36-31(26(25)19-34)37-32(41)29-11-8-14-42-29/h7-16,18,23,39H,4-6,17H2,1-3H3,(H,35,40)(H,36,37,41) |
PubChem CID | 136016480 |
ChEMBL | CHEMBL1171797 |
IUPHAR | N/A |
BindingDB | 50322314 |
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 |
---|---|---|---|---|---|
558361 | KiSS-1 receptor | Q969F8 | KISS1R | Homo sapiens (Human) | 398 |
zhanglabzhanggroup.org | (734) 647-1549 | 100 Washtenaw Avenue, Ann Arbor, MI 48109-2218