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| Name | CHEMBL90497 |
|---|---|
| Molecular formula | C28H30FN5O3 |
| IUPAC name | 1-(4-fluorophenyl)-3-[2-oxo-1-[[3-(propan-2-ylcarbamoylamino)phenyl]methyl]-4,5-dihydro-3H-1-benzazepin-3-yl]urea |
| Molecular weight | 503.578 |
| Hydrogen bond acceptor | 4 |
| Hydrogen bond donor | 4 |
| XlogP | 3.8 |
| Synonyms | 1-(4-Fluoro-phenyl)-3-{1-[3-(3-isopropyl-ureido)-benzyl]-2-oxo-2,3,4,5-tetrahydro-1H-benzo[b]azepin-3-yl}-urea BDBM50078985 1-[3-(3-Isopropylureido)benzyl]-3-[3-(4-fluorophenyl)ureido]-4,5-dihydro-1H-1-benzazepine-2(3H)-one |
| Inchi Key | BRCLFLLOHDAGCV-UHFFFAOYSA-N |
| Inchi ID | InChI=1S/C28H30FN5O3/c1-18(2)30-27(36)32-23-8-5-6-19(16-23)17-34-25-9-4-3-7-20(25)10-15-24(26(34)35)33-28(37)31-22-13-11-21(29)12-14-22/h3-9,11-14,16,18,24H,10,15,17H2,1-2H3,(H2,30,32,36)(H2,31,33,37) |
| PubChem CID | 10744091 |
| ChEMBL | CHEMBL90497 |
| IUPHAR | N/A |
| BindingDB | 50078985 |
| 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 |
|---|---|---|---|---|---|
| 30877 | Neuropeptide Y receptor type 1 | P25929 | NPY1R | Homo sapiens (Human) | 384 |
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