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Name | CHEMBL262904 |
---|---|
Molecular formula | C29H34N6O3 |
IUPAC name | 1-[3-[[3-[[N-(4-hydroxyphenyl)-N'-methylcarbamimidoyl]amino]-2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl]methyl]phenyl]-3-propan-2-ylurea |
Molecular weight | 514.63 |
Hydrogen bond acceptor | 4 |
Hydrogen bond donor | 5 |
XlogP | 3.6 |
Synonyms | 1-(3-{3-[N''-(4-Hydroxy-phenyl)-N''''-methyl-guanidino]-2-oxo-2,3,4,5-tetrahydro-benzo[b]azepin-1-ylmethyl}-phenyl)-3-isopropyl-urea BDBM50079009 SCHEMBL8354018 1-[3-(3-Isopropylureido)benzyl]-3-[3-methyl-2-(4-hydroxyphenyl)guanidino]-4,5-dihydro-1H-1-benzazepine-2(3H)-one |
Inchi Key | BEAHHIZXBVFZJP-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C29H34N6O3/c1-19(2)31-29(38)33-23-9-6-7-20(17-23)18-35-26-10-5-4-8-21(26)11-16-25(27(35)37)34-28(30-3)32-22-12-14-24(36)15-13-22/h4-10,12-15,17,19,25,36H,11,16,18H2,1-3H3,(H2,30,32,34)(H2,31,33,38) |
PubChem CID | 9806521 |
ChEMBL | CHEMBL262904 |
IUPHAR | N/A |
BindingDB | 50079009 |
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 |
---|---|---|---|---|---|
21385 | Neuropeptide Y receptor type 1 | P25929 | NPY1R | Homo sapiens (Human) | 384 |
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